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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 (3,182)
Thiazoles (2,265)
Pyrazoles (1,517)
Oxazoles (598)
Triazoles (587)
Oxadiazoles (247)
Isoxazoles (231)
Thiadiazoles (71)
Dithiazoles (4)

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91 – 105 of 7,483 results
91

Indazole, 96%

CAS: 271-44-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC Name: 1H-indazole SMILES: C1=CC=C2C(=C1)C=NN2

PubChem CID 9221
CAS 271-44-3
Molecular Weight (g/mol) 118.14
ChEBI CHEBI:36669
SMILES C1=CC=C2C(=C1)C=NN2
Synonym indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
IUPAC Name 1H-indazole
InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular Formula C7H6N2
92

3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 857284-23-2 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.20 MDL Number: MFCD07186456 InChI Key: XIJPFLBFQZEFKY-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 3159713 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: OC(=O)C1=CC(CN2C=NC=N2)=CC=C1

PubChem CID 3159713
CAS 857284-23-2
Molecular Weight (g/mol) 203.20
MDL Number MFCD07186456
SMILES OC(=O)C1=CC(CN2C=NC=N2)=CC=C1
Synonym 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl
IUPAC Name 3-(1,2,4-triazol-1-ylmethyl)benzoic acid
InChI Key XIJPFLBFQZEFKY-UHFFFAOYSA-N
Molecular Formula C10H9N3O2
93

1-n-Butyl-3-methylimidazolium dicyanamide, 97%

CAS: 448245-52-1 Molecular Formula: C10H15N5 Molecular Weight (g/mol): 205.265 MDL Number: MFCD07784457 InChI Key: ICIVTHOGIQHZRY-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium dicyanamide,1-butyl-3-methylimidazolium dicyamide,1-butyl-3-methylimidazolium; dicyanoazanide,bmim dca,dsstox_cid_27886,dsstox_rid_82639,dsstox_gsid_47910,c4mim; dicyanoazanide,1-butyl-3-methyl-1h-imidazol-3-ium cyanoimino methylidene azanide,1-butyl-3-methylimidazolium; cyanoimino methylidene azanide PubChem CID: 11171745 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide SMILES: CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N

PubChem CID 11171745
CAS 448245-52-1
Molecular Weight (g/mol) 205.265
MDL Number MFCD07784457
SMILES CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Synonym 1-butyl-3-methylimidazolium dicyanamide,1-butyl-3-methylimidazolium dicyamide,1-butyl-3-methylimidazolium; dicyanoazanide,bmim dca,dsstox_cid_27886,dsstox_rid_82639,dsstox_gsid_47910,c4mim; dicyanoazanide,1-butyl-3-methyl-1h-imidazol-3-ium cyanoimino methylidene azanide,1-butyl-3-methylimidazolium; cyanoimino methylidene azanide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
InChI Key ICIVTHOGIQHZRY-UHFFFAOYSA-N
Molecular Formula C10H15N5
94

2-Amino-4-(2-pyridyl)thiazole, 97%, Thermo Scientific Chemicals

CAS: 30235-26-8 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00460417 InChI Key: BLKHMTAXNXLDJP-UHFFFAOYSA-N Synonym: 4-pyridin-2-yl thiazol-2-amine,4-pyridin-2-yl-thiazol-2-ylamine,4-pyridin-2-yl-1,3-thiazol-2-amine,2-amino-4-2-pyridyl thiazole,2-thiazolamine, 4-2-pyridinyl,4-2-pyridinyl-1,3-thiazol-2-amine,4-2-pyridinyl-2-thiazolamine,4-2-pyridinyl thiazol-2-amine,4-2-pyridyl-1,3-thiazole-2-ylamine,4-pyridin-2-yl-thiazole-2-ylamine PubChem CID: 1092459 IUPAC Name: 4-pyridin-2-yl-1,3-thiazol-2-amine SMILES: C1=CC=NC(=C1)C2=CSC(=N2)N

PubChem CID 1092459
CAS 30235-26-8
Molecular Weight (g/mol) 177.225
MDL Number MFCD00460417
SMILES C1=CC=NC(=C1)C2=CSC(=N2)N
Synonym 4-pyridin-2-yl thiazol-2-amine,4-pyridin-2-yl-thiazol-2-ylamine,4-pyridin-2-yl-1,3-thiazol-2-amine,2-amino-4-2-pyridyl thiazole,2-thiazolamine, 4-2-pyridinyl,4-2-pyridinyl-1,3-thiazol-2-amine,4-2-pyridinyl-2-thiazolamine,4-2-pyridinyl thiazol-2-amine,4-2-pyridyl-1,3-thiazole-2-ylamine,4-pyridin-2-yl-thiazole-2-ylamine
IUPAC Name 4-pyridin-2-yl-1,3-thiazol-2-amine
InChI Key BLKHMTAXNXLDJP-UHFFFAOYSA-N
Molecular Formula C8H7N3S
95

4-Methylthiazole-5-carboxaldehyde, 97%

CAS: 82294-70-0 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD07368277 InChI Key: JJVIEMFQPALZOZ-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-carbaldehyde,4-methyl-5-thiazolecarboxaldehyde,4-methylthiazole-5-carboxaldehyde,4-methyl-5-formylthiazole,4-methyl-5-thiazolecarbaldehyde,5-formyl-4-methylthiazole,4-methylthiazole-5-aldehyde,4-methyl-5-thiazolyl aldehyde,5-thiazolecarboxaldehyde, 4-methyl,4-methyl-5-thiazole carboxaldehyde PubChem CID: 581339 IUPAC Name: 4-methyl-1,3-thiazole-5-carbaldehyde SMILES: CC1=C(SC=N1)C=O

PubChem CID 581339
CAS 82294-70-0
Molecular Weight (g/mol) 127.161
MDL Number MFCD07368277
SMILES CC1=C(SC=N1)C=O
Synonym 4-methylthiazole-5-carbaldehyde,4-methyl-5-thiazolecarboxaldehyde,4-methylthiazole-5-carboxaldehyde,4-methyl-5-formylthiazole,4-methyl-5-thiazolecarbaldehyde,5-formyl-4-methylthiazole,4-methylthiazole-5-aldehyde,4-methyl-5-thiazolyl aldehyde,5-thiazolecarboxaldehyde, 4-methyl,4-methyl-5-thiazole carboxaldehyde
IUPAC Name 4-methyl-1,3-thiazole-5-carbaldehyde
InChI Key JJVIEMFQPALZOZ-UHFFFAOYSA-N
Molecular Formula C5H5NOS
96

Isoxazole, 99%

CAS: 288-14-2 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.063 MDL Number: MFCD00003149 InChI Key: CTAPFRYPJLPFDF-UHFFFAOYSA-N Synonym: isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n PubChem CID: 9254 ChEBI: CHEBI:35595 IUPAC Name: 1,2-oxazole SMILES: C1=CON=C1

PubChem CID 9254
CAS 288-14-2
Molecular Weight (g/mol) 69.063
ChEBI CHEBI:35595
MDL Number MFCD00003149
SMILES C1=CON=C1
Synonym isoxazole,1-oxa-2-azacyclopentadiene,isooxazole,unii-00srw0m6pw,00srw0m6pw,isoxazoles,pubchem8623,acmc-209h4x,ksc204o6n
IUPAC Name 1,2-oxazole
InChI Key CTAPFRYPJLPFDF-UHFFFAOYSA-N
Molecular Formula C3H3NO
97

(4-Methyl-2-pyrid-4-yl-1,3-thiazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 886851-57-6 Molecular Formula: C10H10N2OS Molecular Weight (g/mol): 206.26 MDL Number: MFCD09817497 InChI Key: WSBUFMYJALKFHJ-UHFFFAOYSA-N Synonym: 4-methyl-2-pyridin-4-yl thiazol-5-yl methanol,4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl methanol,4-methyl-2-pyrid-4-yl-1,3-thiazol-5-yl methanol,5-hydroxymethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole,5-thiazolemethanol,4-methyl-2-4-pyridinyl,4-methyl-2-4-pyridyl-1,3-thiazol-5-yl methan-1-ol PubChem CID: 20110144 SMILES: CC1=C(CO)SC(=N1)C1=CC=NC=C1

PubChem CID 20110144
CAS 886851-57-6
Molecular Weight (g/mol) 206.26
MDL Number MFCD09817497
SMILES CC1=C(CO)SC(=N1)C1=CC=NC=C1
Synonym 4-methyl-2-pyridin-4-yl thiazol-5-yl methanol,4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl methanol,4-methyl-2-pyrid-4-yl-1,3-thiazol-5-yl methanol,5-hydroxymethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole,5-thiazolemethanol,4-methyl-2-4-pyridinyl,4-methyl-2-4-pyridyl-1,3-thiazol-5-yl methan-1-ol
InChI Key WSBUFMYJALKFHJ-UHFFFAOYSA-N
Molecular Formula C10H10N2OS
98

1-dodecylimidazole, 97%

CAS: 4303-67-7 Molecular Formula: C15H28N2 Molecular Weight (g/mol): 236.40 MDL Number: MFCD00278859 InChI Key: JMTFLSQHQSFNTE-UHFFFAOYSA-N Synonym: 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091 PubChem CID: 78002 IUPAC Name: 1-dodecylimidazole SMILES: CCCCCCCCCCCCN1C=CN=C1

PubChem CID 78002
CAS 4303-67-7
Molecular Weight (g/mol) 236.40
MDL Number MFCD00278859
SMILES CCCCCCCCCCCCN1C=CN=C1
Synonym 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091
IUPAC Name 1-dodecylimidazole
InChI Key JMTFLSQHQSFNTE-UHFFFAOYSA-N
Molecular Formula C15H28N2
99

3-Chloro-4-(3-pyridyl)-1,2,5-thiadiazole, 95%, Thermo Scientific Chemicals

CAS: 131986-28-2 Molecular Formula: C7H4ClN3S Molecular Weight (g/mol): 197.64 MDL Number: MFCD03066187 InChI Key: CMPNWGQBNRHIQZ-UHFFFAOYSA-N Synonym: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole,3-chloro-4-3-pyridyl-1,2,5-thiadiazole,3-4-chloro-1,2,5-thiadiazol-3-yl pyridine,pyridine, 3-4-chloro-1,2,5-thiadiazol-3-yl,3-4-chloro-1,2,5 thiadiazol-3-yl-pyridine,3-3-chloro-1,2,5-thiadiazol-4yl pyridine,3-3-chloro-1,2,5-thiadiazol-4-yl pyridine,acmc-1bz6y,ksc497a5t,3-chloro-4-pyrid-3-yl-1,2,5-thiadiazole PubChem CID: 10488164 IUPAC Name: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole SMILES: ClC1=NSN=C1C1=CN=CC=C1

PubChem CID 10488164
CAS 131986-28-2
Molecular Weight (g/mol) 197.64
MDL Number MFCD03066187
SMILES ClC1=NSN=C1C1=CN=CC=C1
Synonym 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole,3-chloro-4-3-pyridyl-1,2,5-thiadiazole,3-4-chloro-1,2,5-thiadiazol-3-yl pyridine,pyridine, 3-4-chloro-1,2,5-thiadiazol-3-yl,3-4-chloro-1,2,5 thiadiazol-3-yl-pyridine,3-3-chloro-1,2,5-thiadiazol-4yl pyridine,3-3-chloro-1,2,5-thiadiazol-4-yl pyridine,acmc-1bz6y,ksc497a5t,3-chloro-4-pyrid-3-yl-1,2,5-thiadiazole
IUPAC Name 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole
InChI Key CMPNWGQBNRHIQZ-UHFFFAOYSA-N
Molecular Formula C7H4ClN3S
100

4-Nitroimidazole, 98%

CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1

PubChem CID 18208
CAS 3034-38-6
Molecular Weight (g/mol) 113.08
ChEBI CHEBI:64635
MDL Number MFCD00005196
SMILES [O-][N+](=O)C1=CN=CN1
Synonym 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole
IUPAC Name 5-nitro-1H-imidazole
InChI Key VYDWQPKRHOGLPA-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
101

3-Amino-5-phenyl-1,2,4-thiadiazole, 96%

CAS: 27182-54-3 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00159799 InChI Key: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC Name: 5-phenyl-1,2,4-thiadiazol-3-amine SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N

PubChem CID 554203
CAS 27182-54-3
Molecular Weight (g/mol) 177.225
MDL Number MFCD00159799
SMILES C1=CC=C(C=C1)C2=NC(=NS2)N
Synonym 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,#
IUPAC Name 5-phenyl-1,2,4-thiadiazol-3-amine
InChI Key WOZDQVLZCXNJPY-UHFFFAOYSA-N
Molecular Formula C8H7N3S
102

(1-Methyl-1H-pyrazol-3-yl)methanol, 95%, Thermo Scientific™

CAS: 84547-62-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD08690274 InChI Key: WCKJRVKJTUIAFW-UHFFFAOYSA-N PubChem CID: 12845046 IUPAC Name: (1-methylpyrazol-3-yl)methanol SMILES: CN1C=CC(=N1)CO

PubChem CID 12845046
CAS 84547-62-6
Molecular Weight (g/mol) 112.132
MDL Number MFCD08690274
SMILES CN1C=CC(=N1)CO
IUPAC Name (1-methylpyrazol-3-yl)methanol
InChI Key WCKJRVKJTUIAFW-UHFFFAOYSA-N
Molecular Formula C5H8N2O
103

3-(1H-1,2,4-triazol-1-ylmethyl)aniline, ≥97%, Thermo Scientific™

CAS: 127988-22-1 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD08060528 InChI Key: LFINNEVQJQXPHN-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole PubChem CID: 6482004 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC(=C1)N)CN2C=NC=N2

PubChem CID 6482004
CAS 127988-22-1
Molecular Weight (g/mol) 174.207
MDL Number MFCD08060528
SMILES C1=CC(=CC(=C1)N)CN2C=NC=N2
Synonym 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole
IUPAC Name 3-(1,2,4-triazol-1-ylmethyl)aniline
InChI Key LFINNEVQJQXPHN-UHFFFAOYSA-N
Molecular Formula C9H10N4
104

1-methyl-1h-pyrazole-4-carbonyl chloride, 97%, Thermo Scientific™

CAS: 79583-19-0 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.558 MDL Number: MFCD03421496 InChI Key: QLBBQLJPRXPVOS-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-4-carbonyl chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl,1h-pyrazole-4-carbonylchloride, 1-methyl,1-methyl-1h-pyrazole-4-carboxylic acid chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl-9ci PubChem CID: 3164931 IUPAC Name: 1-methylpyrazole-4-carbonyl chloride SMILES: CN1C=C(C=N1)C(=O)Cl

PubChem CID 3164931
CAS 79583-19-0
Molecular Weight (g/mol) 144.558
MDL Number MFCD03421496
SMILES CN1C=C(C=N1)C(=O)Cl
Synonym 1-methyl-1h-pyrazole-4-carbonyl chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl,1h-pyrazole-4-carbonylchloride, 1-methyl,1-methyl-1h-pyrazole-4-carboxylic acid chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl-9ci
IUPAC Name 1-methylpyrazole-4-carbonyl chloride
InChI Key QLBBQLJPRXPVOS-UHFFFAOYSA-N
Molecular Formula C5H5ClN2O
105

5-Methyl-2-phenyl-1,3-oxazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 70170-23-9 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD08435848 InChI Key: JEXONSMPSXTJFF-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl PubChem CID: 12471041 IUPAC Name: 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde SMILES: CC1=C(C=O)N=C(O1)C1=CC=CC=C1

PubChem CID 12471041
CAS 70170-23-9
Molecular Weight (g/mol) 187.20
MDL Number MFCD08435848
SMILES CC1=C(C=O)N=C(O1)C1=CC=CC=C1
Synonym 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl
IUPAC Name 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde
InChI Key JEXONSMPSXTJFF-UHFFFAOYSA-N
Molecular Formula C11H9NO2