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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (378)
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1 – 15 of 529 results
1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
3

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
4

7-Nitro-1H-indazole, 98%

CAS: 2942-42-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00022789 InChI Key: PQCAUHUKTBHUSA-UHFFFAOYSA-N Synonym: 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni PubChem CID: 1893 IUPAC Name: 7-nitro-1H-indazole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

PubChem CID 1893
CAS 2942-42-9
Molecular Weight (g/mol) 163.136
MDL Number MFCD00022789
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
Synonym 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni
IUPAC Name 7-nitro-1H-indazole
InChI Key PQCAUHUKTBHUSA-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
5

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

PubChem CID 2723946
CAS 1750-12-5
Molecular Weight (g/mol) 146.172
MDL Number MFCD00003098
SMILES C1(=S)NN=C(N1N)NN
Synonym 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula C2H6N6S
6

Imidazole-4-carboxaldehyde, 97%

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

PubChem CID 76428
CAS 3034-50-2
Molecular Weight (g/mol) 96.089
MDL Number MFCD00173726
SMILES C1=C(NC=N1)C=O
Synonym 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name 1H-imidazole-5-carbaldehyde
InChI Key ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula C4H4N2O
7

2-Aminobenzimidazole, 97+%

CAS: 934-32-7 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005596 InChI Key: JWYUFVNJZUSCSM-UHFFFAOYSA-N Synonym: 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole PubChem CID: 13624 ChEBI: CHEBI:27822 IUPAC Name: 1H-benzimidazol-2-amine SMILES: NC1=NC2=CC=CC=C2N1

PubChem CID 13624
CAS 934-32-7
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:27822
MDL Number MFCD00005596
SMILES NC1=NC2=CC=CC=C2N1
Synonym 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole
IUPAC Name 1H-benzimidazol-2-amine
InChI Key JWYUFVNJZUSCSM-UHFFFAOYSA-N
Molecular Formula C7H7N3
8

1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

PubChem CID 66171
CAS 1072-63-5
Molecular Weight (g/mol) 94.12
MDL Number MFCD00005297
SMILES C=CN1C=CN=C1
Synonym 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula C5H6N2
9

1-Ethyl-3-methylimidazolium tetrafluoroborate, 98+% (dry wt.), may cont. up to 3% water

CAS: 143314-16-3 Molecular Formula: C6H11BF4N2 Molecular Weight (g/mol): 197.97 MDL Number: MFCD00216668 InChI Key: CUNYTRQQXKCRTJ-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate PubChem CID: 2769348 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1

PubChem CID 2769348
CAS 143314-16-3
Molecular Weight (g/mol) 197.97
MDL Number MFCD00216668
SMILES F[B-](F)(F)F.CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate
InChI Key CUNYTRQQXKCRTJ-UHFFFAOYSA-N
Molecular Formula C6H11BF4N2
10

2-(4-Methyl-5-thiazolyl)ethyl acetate, 98+%

CAS: 656-53-1 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.24 MDL Number: MFCD00005338 InChI Key: CRTCWNPLKVVXIX-UHFFFAOYSA-N Synonym: 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole PubChem CID: 61192 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate SMILES: CC(=O)OCCC1=C(C)N=CS1

PubChem CID 61192
CAS 656-53-1
Molecular Weight (g/mol) 185.24
MDL Number MFCD00005338
SMILES CC(=O)OCCC1=C(C)N=CS1
Synonym 2-4-methylthiazol-5-yl ethyl acetate,4-methyl-5-thiazolylethyl acetate,2-4-methyl-5-thiazolyl ethyl acetate,sulfurol acetate,4-methyl-5-2-acetoxyethyl thiazole,4-methyl-5-thiazoleethanol acetate,5-2-acetoxyethyl-4-methylthiazole,2-4-methyl-1,3-thiazol-5-yl ethyl acetate,5-thiazoleethanol, 4-methyl-, acetate ester,4-methyl-5-beta-acetoxyethyl thiazole
IUPAC Name 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate
InChI Key CRTCWNPLKVVXIX-UHFFFAOYSA-N
Molecular Formula C8H11NO2S
11

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
12

1-Ethyl-3-methylimidazolium ethyl sulfate, 99%

CAS: 342573-75-5 Molecular Formula: C8H16N2O4S Molecular Weight (g/mol): 236.286 MDL Number: MFCD06798189 InChI Key: VRFOKYHDLYBVAL-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate PubChem CID: 12095229 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate SMILES: CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]

PubChem CID 12095229
CAS 342573-75-5
Molecular Weight (g/mol) 236.286
MDL Number MFCD06798189
SMILES CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate
InChI Key VRFOKYHDLYBVAL-UHFFFAOYSA-M
Molecular Formula C8H16N2O4S
13

1-Benzylimidazole, 98+%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

PubChem CID 77918
CAS 4238-71-5
Molecular Weight (g/mol) 158.20
MDL Number MFCD00005296
SMILES C(N1C=CN=C1)C1=CC=CC=C1
Synonym 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name 1-benzylimidazole
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula C10H10N2
14

1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
15

1-Aminobenzotriazole, 97%

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.142 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

PubChem CID 1367
CAS 1614-12-6
Molecular Weight (g/mol) 134.142
MDL Number MFCD00132902
SMILES C1=CC=C2C(=C1)N=NN2N
Synonym 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
IUPAC Name benzotriazol-1-amine
InChI Key JCXKHYLLVKZPKE-UHFFFAOYSA-N
Molecular Formula C6H6N4