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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 (2,982)
Thiazoles (2,025)
Pyrazoles (1,495)
Triazoles (582)
Oxazoles (556)
Oxadiazoles (242)
Isoxazoles (232)
Thiadiazoles (71)
Dithiazoles (4)

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946 – 960 of 6,965 results
946

3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine 98.0+%, TCI America™

CAS: 151266-23-8 Molecular Formula: C5H4IN5 Molecular Weight (g/mol): 261.03 MDL Number: MFCD03787931 InChI Key: HQAIUXZORKJOJY-UHFFFAOYSA-N PubChem CID: 1519489 IUPAC Name: 3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine SMILES: NC1=NC=NC2=NNC(I)=C12

PubChem CID 1519489
CAS 151266-23-8
Molecular Weight (g/mol) 261.03
MDL Number MFCD03787931
SMILES NC1=NC=NC2=NNC(I)=C12
IUPAC Name 3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI Key HQAIUXZORKJOJY-UHFFFAOYSA-N
Molecular Formula C5H4IN5
947

5-Mercapto-1H-1,2,3-triazole Sodium Salt 97.0+%, TCI America™

CAS: 59032-27-8 Molecular Formula: C2H2N3NaS Molecular Weight (g/mol): 123.109 MDL Number: MFCD00044799 InChI Key: HHGMADGROXARPN-UHFFFAOYSA-M Synonym: sodium 1,2,3-triazole-5-thiolate,5-mercapto-1,2,3-triazole monosodium salt,sodium 1h-1,2,3-triazol-5-ylsulfanide,1h-1,2,3-triazole-5-thiol sodium salt,1h-5-mercapto-1,2,3-triazole,sodium salt,tas:1h-1,2,3-triazole-4-thiol sodium salt,sodium 1h-1,2,3-triazole-4-thiolate,sodium 1h-1,2,3-triazole-5-thiolate,sodium 2h-1,2,3-triazole-4-thiolate,1h-1,2,3-triazole-4-thiol sodium salt PubChem CID: 23685427 IUPAC Name: sodium;2H-triazole-4-thiolate SMILES: C1=NNN=C1[S-].[Na+]

PubChem CID 23685427
CAS 59032-27-8
Molecular Weight (g/mol) 123.109
MDL Number MFCD00044799
SMILES C1=NNN=C1[S-].[Na+]
Synonym sodium 1,2,3-triazole-5-thiolate,5-mercapto-1,2,3-triazole monosodium salt,sodium 1h-1,2,3-triazol-5-ylsulfanide,1h-1,2,3-triazole-5-thiol sodium salt,1h-5-mercapto-1,2,3-triazole,sodium salt,tas:1h-1,2,3-triazole-4-thiol sodium salt,sodium 1h-1,2,3-triazole-4-thiolate,sodium 1h-1,2,3-triazole-5-thiolate,sodium 2h-1,2,3-triazole-4-thiolate,1h-1,2,3-triazole-4-thiol sodium salt
IUPAC Name sodium;2H-triazole-4-thiolate
InChI Key HHGMADGROXARPN-UHFFFAOYSA-M
Molecular Formula C2H2N3NaS
948

8-Azaadenine 98.0+%, TCI America™

CAS: 1123-54-2 Molecular Formula: C4H4N6 Molecular Weight (g/mol): 136.12 MDL Number: MFCD00005697 InChI Key: HRYKDUPGBWLLHO-UHFFFAOYSA-N PubChem CID: 70746 ChEBI: CHEBI:77751 IUPAC Name: 2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine SMILES: NC1=NC=NC2=NNN=C12

PubChem CID 70746
CAS 1123-54-2
Molecular Weight (g/mol) 136.12
ChEBI CHEBI:77751
MDL Number MFCD00005697
SMILES NC1=NC=NC2=NNN=C12
IUPAC Name 2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
InChI Key HRYKDUPGBWLLHO-UHFFFAOYSA-N
Molecular Formula C4H4N6
949

Bismuthiol 98.0+%, TCI America™

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
950

(5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid 97.0+%, TCI America™

CAS: 53723-88-9 Molecular Formula: C4H4N2O2S3 Molecular Weight (g/mol): 208.268 MDL Number: MFCD00129970 InChI Key: UJBXVTJYSIDCIE-UHFFFAOYSA-N Synonym: 5-mercapto-1,3,4-thiadiazol-2-ylthio acetic acid,2-5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio acetic acid,acetic acid, 4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio,5-mercapto-1,3,4-thiadiazole-2-ylthio acetic acid,5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-mercapto-1,3,4-thiadiazole-2-ylthio aceticacid,2-5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,2-5-sulfanyl-1,3,4-thiadiazol-2-ylthio acetic acid PubChem CID: 1714399 IUPAC Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid SMILES: C(C(=O)O)SC1=NNC(=S)S1

PubChem CID 1714399
CAS 53723-88-9
Molecular Weight (g/mol) 208.268
MDL Number MFCD00129970
SMILES C(C(=O)O)SC1=NNC(=S)S1
Synonym 5-mercapto-1,3,4-thiadiazol-2-ylthio acetic acid,2-5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio acetic acid,acetic acid, 4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio,5-mercapto-1,3,4-thiadiazole-2-ylthio acetic acid,5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-mercapto-1,3,4-thiadiazole-2-ylthio aceticacid,2-5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,2-5-sulfanyl-1,3,4-thiadiazol-2-ylthio acetic acid
IUPAC Name 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid
InChI Key UJBXVTJYSIDCIE-UHFFFAOYSA-N
Molecular Formula C4H4N2O2S3
951

4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione 98.0+%, TCI America™

CAS: 327036-89-5 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.26 MDL Number: MFCD04973552 InChI Key: JDSJDASOXWCHPN-UHFFFAOYSA-N Synonym: TDZD-8 PubChem CID: 4124851 IUPAC Name: 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione SMILES: CN1SC(=O)N(CC2=CC=CC=C2)C1=O

PubChem CID 4124851
CAS 327036-89-5
Molecular Weight (g/mol) 222.26
MDL Number MFCD04973552
SMILES CN1SC(=O)N(CC2=CC=CC=C2)C1=O
Synonym TDZD-8
IUPAC Name 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
InChI Key JDSJDASOXWCHPN-UHFFFAOYSA-N
Molecular Formula C10H10N2O2S
952

5-Amino-1,2,3-thiadiazole 98.0+%, TCI America™

CAS: 4100-41-8 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.127 MDL Number: MFCD00082810 InChI Key: PVGHNTXQMCYYGF-UHFFFAOYSA-N PubChem CID: 77736 IUPAC Name: thiadiazol-5-amine SMILES: C1=C(SN=N1)N

PubChem CID 77736
CAS 4100-41-8
Molecular Weight (g/mol) 101.127
MDL Number MFCD00082810
SMILES C1=C(SN=N1)N
IUPAC Name thiadiazol-5-amine
InChI Key PVGHNTXQMCYYGF-UHFFFAOYSA-N
Molecular Formula C2H3N3S
953

3,5-Dimethylisoxazole-4-carboxylic Acid 98.0+%, TCI America™

CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O

PubChem CID 75636
CAS 2510-36-3
Molecular Weight (g/mol) 141.126
MDL Number MFCD00051657
SMILES CC1=C(C(=NO1)C)C(=O)O
Synonym 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555
IUPAC Name 3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI Key IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
954

Ethyl 3,5-Dimethylisoxazole-4-carboxylate 98.0+%, TCI America™

CAS: 17147-42-1 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00052557 InChI Key: OQRHVDXUJAQVNT-UHFFFAOYSA-N Synonym: ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole PubChem CID: 736348 IUPAC Name: ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1C)C

PubChem CID 736348
CAS 17147-42-1
Molecular Weight (g/mol) 169.18
MDL Number MFCD00052557
SMILES CCOC(=O)C1=C(ON=C1C)C
Synonym ethyl 3,5-dimethylisoxazole-4-carboxylate,ethyl 3,5-dimethyl-4-isoxazolecarboxylate,3,5-dimethylisoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-4-ethoxycarbonyl isoxazole,ethyl 3,5-dimethyl-isoxazole-4-carboxylate,acmc-1c48c,ethyldimethylisoxazolecarboxylate,4-carbethoxy-3,5-dimethylisoxazole,4-carboethoxy-3,5-dimethylisoxazole
IUPAC Name ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
InChI Key OQRHVDXUJAQVNT-UHFFFAOYSA-N
Molecular Formula C8H11NO3
955

5-Amino-3-methylisoxazole 97.0+%, TCI America™

CAS: 14678-02-5 Molecular Formula: C4H6N2O Molecular Weight (g/mol): 98.105 MDL Number: MFCD00003151 InChI Key: FNXYWHTZDAVRTB-UHFFFAOYSA-N Synonym: 5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine PubChem CID: 84590 IUPAC Name: 3-methyl-1,2-oxazol-5-amine SMILES: CC1=NOC(=C1)N

PubChem CID 84590
CAS 14678-02-5
Molecular Weight (g/mol) 98.105
MDL Number MFCD00003151
SMILES CC1=NOC(=C1)N
Synonym 5-amino-3-methylisoxazole,3-methylisoxazol-5-amine,5-isoxazolamine, 3-methyl,3-methyl-5-isoxazolamine,unii-0g66r1h4rw,3-methyl-isoxazol-5-ylamine,3-methylisoxazole-5-ylamine,3-methylisoxazole-5-amine,acmc-209yk8,3-methylisooxazole-5-amine
IUPAC Name 3-methyl-1,2-oxazol-5-amine
InChI Key FNXYWHTZDAVRTB-UHFFFAOYSA-N
Molecular Formula C4H6N2O
956

Methyl 1,2,4-Triazole-3-carboxylate 98.0+%, TCI America™

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

PubChem CID 2735089
CAS 4928-88-5
Molecular Weight (g/mol) 127.103
MDL Number MFCD00135989
SMILES COC(=O)C1=NC=NN1
IUPAC Name methyl 1H-1,2,4-triazole-5-carboxylate
InChI Key QMPFMODFBNEYJH-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
957

(Trifluoroacetyl)benzotriazole (mixture of 1H- and 2H- isomers) 98.0+%, TCI America™

CAS: 183266-61-7 Molecular Formula: C8H4F3N3O Molecular Weight (g/mol): 215.135 MDL Number: MFCD00593044 InChI Key: GVQIQOIKWUOEJP-UHFFFAOYSA-N PubChem CID: 3358778 IUPAC Name: 1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone SMILES: C1=CC=C2C(=C1)N=NN2C(=O)C(F)(F)F

PubChem CID 3358778
CAS 183266-61-7
Molecular Weight (g/mol) 215.135
MDL Number MFCD00593044
SMILES C1=CC=C2C(=C1)N=NN2C(=O)C(F)(F)F
IUPAC Name 1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone
InChI Key GVQIQOIKWUOEJP-UHFFFAOYSA-N
Molecular Formula C8H4F3N3O
958

(7-Azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 156311-85-2 Molecular Formula: C11H21F6N7OP2 Molecular Weight (g/mol): 443.275 MDL Number: MFCD09263289 InChI Key: RQBNNDQCKMIUQJ-UHFFFAOYSA-N Synonym: 3h-1,2,3 triazolo 4,5-b pyridin-3-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,7-azabenzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,7-azabenzotriazol-1-yloxytris dimethylamino phosph,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,acmc-20alxg,tris dimethylamino 3h-1,2,3-triazolo 4,5-b pyridin-3-yloxy phosphonium hexafluorophosphate,ksc173q2f,7-azabenzotriazol-1-yloxytris dimethyamino phosphonium hexafluorosphate,7-azabenzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate, 98+% PubChem CID: 21894514 IUPAC Name: tris(dimethylamino)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F

PubChem CID 21894514
CAS 156311-85-2
Molecular Weight (g/mol) 443.275
MDL Number MFCD09263289
SMILES CN(C)[P+](N(C)C)(N(C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F
Synonym 3h-1,2,3 triazolo 4,5-b pyridin-3-yl oxy tris dimethylamino phosphonium hexafluorophosphate v,7-azabenzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,7-azabenzotriazol-1-yloxytris dimethylamino phosph,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate,acmc-20alxg,tris dimethylamino 3h-1,2,3-triazolo 4,5-b pyridin-3-yloxy phosphonium hexafluorophosphate,ksc173q2f,7-azabenzotriazol-1-yloxytris dimethyamino phosphonium hexafluorosphate,7-azabenzotriazol-1-yloxy tris dimethylamino phosphonium hexafluorophosphate,7-aza-1h-benzotriazol-1-yloxytris dimethylamino phosphonium hexafluorophosphate, 98+%
IUPAC Name tris(dimethylamino)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate
InChI Key RQBNNDQCKMIUQJ-UHFFFAOYSA-N
Molecular Formula C11H21F6N7OP2
959

1-Methyl-1H-benzotriazole 98.0+%, TCI America™

CAS: 13351-73-0 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00014572 InChI Key: HXQHRUJXQJEGER-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzotriazole,1-methyl-1h-benzo d 1,2,3 triazole,1h-benzotriazole, 1-methyl,1-methyl-1,2,3-benzotriazole,1-methyl-1h-1,2,3-benzotriazole,1h-1,2,3-benzotriazole, 1-methyl,cobratec tt 100,cobratec tt-100,acmc-1bnud,3-n-methyl benzotriazole PubChem CID: 25902 IUPAC Name: 1-methyl-1H-1,2,3-benzotriazole SMILES: CN1N=NC2=CC=CC=C12

PubChem CID 25902
CAS 13351-73-0
Molecular Weight (g/mol) 133.15
MDL Number MFCD00014572
SMILES CN1N=NC2=CC=CC=C12
Synonym 1-methyl-1h-benzotriazole,1-methyl-1h-benzo d 1,2,3 triazole,1h-benzotriazole, 1-methyl,1-methyl-1,2,3-benzotriazole,1-methyl-1h-1,2,3-benzotriazole,1h-1,2,3-benzotriazole, 1-methyl,cobratec tt 100,cobratec tt-100,acmc-1bnud,3-n-methyl benzotriazole
IUPAC Name 1-methyl-1H-1,2,3-benzotriazole
InChI Key HXQHRUJXQJEGER-UHFFFAOYSA-N
Molecular Formula C7H7N3
960

4-Amino-1,2,4-triazole 98.0+%, TCI America™

CAS: 584-13-4 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.082 MDL Number: MFCD00003099 InChI Key: FMCUPJKTGNBGEC-UHFFFAOYSA-N Synonym: 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole PubChem CID: 11432 IUPAC Name: 1,2,4-triazol-4-amine SMILES: C1=NN=CN1N

PubChem CID 11432
CAS 584-13-4
Molecular Weight (g/mol) 84.082
MDL Number MFCD00003099
SMILES C1=NN=CN1N
Synonym 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole
IUPAC Name 1,2,4-triazol-4-amine
InChI Key FMCUPJKTGNBGEC-UHFFFAOYSA-N
Molecular Formula C2H4N4