Aryl 1,2,4-triazolones

Description:

Aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Azoles ⮕ Triazoles ⮕ Triazolones ⮕ Aryl 1,2,4-triazolones

3-Oxo-2，3-dihydro-[1，2，4]triazolo[4，3-a]pyridine-8-carboxylic acid
- ≥95%
Cas Number: 53975-72-7

Formula: C₇H₅N₃O₃ Molecular Weight: 179.13

SMILES: C1=CN2C(=NNC2=O)C(=C1)C(=O)O

InChIKey: ZKBNKPSAROKKKH-UHFFFAOYSA-N

InChI: InChI=1S/C7H5N3O3/c11-6(12)4-2-1-3-10-5(4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12)
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6-bromo-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
- ≥97%
Cas Number: 1782729-97-8 Compound CID: 84103204

Formula: C₇H₆BrN₃O Molecular Weight: 228.05

SMILES: CN1C(=O)N2C=C(C=CC2=N1)Br

InChIKey: XHIRGJOCHASTDA-UHFFFAOYSA-N

InChI: InChI=1S/C7H6BrN3O/c1-10-7(12)11-4-5(8)2-3-6(11)9-10/h2-4H,1H3
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8-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
- ≥97%
Cas Number: 1207970-25-9 Compound CID: 67187662

Formula: C₆H₄BrN₃O Molecular Weight: 214.02

SMILES: C1=CN2C(=NNC2=O)C(=C1)Br

InChIKey: YATYBGKJPZHGKO-UHFFFAOYSA-N

InChI: InChI=1S/C6H4BrN3O/c7-4-2-1-3-10-5(4)8-9-6(10)11/h1-3H,(H,9,11)
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7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
- ≥97%
Cas Number: 1020039-12-6 Compound CID: 55266115

Formula: C₆H₄N₃OCl Molecular Weight: 169.56

IUPAC Name: 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

SMILES: C1=CN2C(=NNC2=O)C=C1Cl

InChIKey: RJGCGYRBLODQEG-UHFFFAOYSA-N

InChI: InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
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6-chloro-7-methyl-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
- ≥97%
Cas Number: 1026687-75-1 Compound CID: 10081100

Formula: C₆H₅ClN₄O Molecular Weight: 184.58

SMILES: CC1=CC2=NNC(=O)N2N=C1Cl

InChIKey: OSULKFZLJFDLOE-UHFFFAOYSA-N

InChI: InChI=1S/C6H5ClN4O/c1-3-2-4-8-9-6(12)11(4)10-5(3)7/h2H,1H3,(H,9,12)
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5-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
- ≥97%
Cas Number: 864933-07-3 Compound CID: 56777241

Formula: C₆H₄BrN₃O Molecular Weight: 214.02

SMILES: C1=CC2=NNC(=O)N2C(=C1)Br

InChIKey: WPXABJKQENXEKZ-UHFFFAOYSA-N

InChI: InChI=1S/C6H4BrN3O/c7-4-2-1-3-5-8-9-6(11)10(4)5/h1-3H,(H,9,11)
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Pecavaptan
Cas Number: 1914998-56-3 Compound CID: 121301508

Formula: C₂₂H₁₉Cl₂F₃N₆O₃ Molecular Weight: 543.3

IUPAC Name: 5-(4-chlorophenyl)-2-[[1-(3-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-show more

SMILES: CC(C1=NC(=NN1C2=CC(=CC=C2)Cl)CN3C(=O)N(C(=N3)C4=CC=C(C=C4)Cl)CC(C(F)(F)F)O)O

InChIKey: AZXOTZCWQDJCLY-SJCJKPOMSA-N

InChI: InChI=1S/C22H19Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,17,34show more

Synonyms: Pecavaptan | AZXOTZCWQDJCLY-SJCJKPOMSA-N | 3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-2-((1-(3-chlorophenyl)-5-((1S)-...

Details

Pricing Close
TAK-020
- ≥99%
Cas Number: 1627603-21-7 Compound CID: 136286736

Formula: C₁₈H₁₇N₅O₃ Molecular Weight: 351.36

SMILES: C=CC(=O)N1CC[C@@H](C1)OC2=NC(=CC3=CC=CC=C32)C4=NNC(=O)N4
Details

Pricing Close
6-bromo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
- ≥97%
Cas Number: 425702-91-6 Compound CID: 12040798

Formula: C₆H₄BrN₃O Molecular Weight: 214.02

IUPAC Name: 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

SMILES: C1=CC2=NNC(=O)N2C=C1Br

InChIKey: KZVFUYHFHBBPPD-UHFFFAOYSA-N

InChI: InChI=1S/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)

Synonyms: W12471 | 6-bromo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one | EN300-6800417 | DTXSID10476373 | TS-03053 | 6-Bromo-[1,2...
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zaloglanstat
Cas Number: 1513852-12-4 Compound CID: 136246033

IUPAC Name: N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazol-3-yl}phenyl)methyl]-2,2-dimethylpropanamide

SMILES: O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl

InChIKey: DOVBVLUPCQSAGE-UHFFFAOYSA-N

InChI: InChI=1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27show more

Synonyms: Zaloglanstat [INN] | 1513852-12-4 | ISC-27864 | UNII-V5SE449P9L | Propanamide, N-((4-chloro-3-(2,5-dihydro-5-oxo-1-(4...
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TAK-020
IUPAC Name: 3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxyisoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

SMILES: C(=O)(C=C)N1C[C@H](CC1)Oc1nc(cc2ccccc12)c1[nH]c(=O)[nH]n1

InChIKey: HIMUHMBGRATXMK-LBPRGKRZSA-N

InChI: InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/sshow more

Synonyms: 1627603-21-7 | SCHEMBL16008415 | CS-0254159 | HY-132879 | U3T5W003VP | (S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoqu...
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Pricing Close
KPLH1130
- ≥98%
Cas Number: 906669-07-6

Formula: C₁₅H₁₃N₃O₃ Molecular Weight: 283.28

IUPAC Name: 3-(2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one

SMILES: CC1=CC=C(C=C1)N2C(=NNC2=O)C3=C(C=C(C=C3)O)O

InChIKey: UUTBMTOBGXJTLN-UHFFFAOYSA-N

InChI: InChI=1S/C15H13N3O3/c1-9-2-4-10(5-3-9)18-14(16-17-15(18)21)12-7-6-11(19)8-13(12)20/h2-8,19-20H,1H3,(H,17,21)
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