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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 (648)
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Pyrazoles (437)
Isoxazoles (200)
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1 – 15 of 1,067 results
1
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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 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
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2
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Xanthane hydride, Thermo Scientific Chemicals

CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1

CAS 6846-35-1
Molecular Weight (g/mol) 150.23
SMILES NC1=NC(=S)SS1
IUPAC Name 5-amino-3H-1,2,4-dithiazole-3-thione
InChI Key YWZHEXZIISFIDA-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
3

bis-Benzimide H-33342 trihydrochloride trihydrate, 98%

EDGE
4

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

EDGE
PubChem CID 2734236
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
MDL Number MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Synonym 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula C8H15BrN2
5

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
6
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1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

EDGE
PubChem CID 2734174
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
MDL Number MFCD03093295
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula C8H15F6N2P
7
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1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
8

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
9

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
10
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4-Methylpyrazole, 97%

CAS: 7554-65-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1

PubChem CID 3406
CAS 7554-65-6
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:5141
SMILES CC1=CNN=C1
Synonym 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
IUPAC Name 4-methyl-1H-pyrazole
InChI Key RIKMMFOAQPJVMX-UHFFFAOYSA-N
Molecular Formula C4H6N2
11
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Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

PubChem CID 3454
CAS 82410-32-0
Molecular Weight (g/mol) 255.23
ChEBI CHEBI:465284
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Synonym ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
IUPAC Name 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
12
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Pyrazole, 98%, pure

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

PubChem CID 1048
CAS 288-13-1
Molecular Weight (g/mol) 68.08
ChEBI CHEBI:17241
MDL Number MFCD00005234
SMILES C1=CNN=C1
Synonym pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name 1H-pyrazole
InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula C3H4N2
13

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride, 97+%, Thermo Scientific™

CAS: 519056-67-8 Molecular Formula: C5H4ClF3N2O2S Molecular Weight (g/mol): 248.604 InChI Key: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl

PubChem CID 2794561
CAS 519056-67-8
Molecular Weight (g/mol) 248.604
SMILES CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
Synonym 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl
IUPAC Name 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
InChI Key HJFWSNIHZZKYIK-UHFFFAOYSA-N
Molecular Formula C5H4ClF3N2O2S
14

2-Amino-5-n-propylsulfonylbenzimidazole, 98+%

CAS: 80983-34-2 Molecular Formula: C10H13N3O2S Molecular Weight (g/mol): 239.29 MDL Number: MFCD01075656 InChI Key: WTPBIYSMFKUQKY-UHFFFAOYSA-N Synonym: albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine PubChem CID: 88125 ChEBI: CHEBI:80621 IUPAC Name: 6-propylsulfonyl-1H-benzimidazol-2-amine SMILES: CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1

PubChem CID 88125
CAS 80983-34-2
Molecular Weight (g/mol) 239.29
ChEBI CHEBI:80621
MDL Number MFCD01075656
SMILES CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1
Synonym albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine
IUPAC Name 6-propylsulfonyl-1H-benzimidazol-2-amine
InChI Key WTPBIYSMFKUQKY-UHFFFAOYSA-N
Molecular Formula C10H13N3O2S