5,7-Dimethyl(1,2,4)triazolo(4,3-a)pyridin-3(2H)-one

HCID 253282

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Basic information

CAS: 4926-21-0
Standard SMILES: Cc1cc(C)n2c(=O)[nH]nc2c1
InChIKey: ONLSPZUKGVNLAT-UHFFFAOYSA-N
Molecular formula: C8H9N3O
Average molar mass: 163.18 g/mol
Monoisotopic mass: 163.07456192

Names & identifiers

Preferred name: 5,7-Dimethyl(1,2,4)triazolo(4,3-a)pyridin-3(2H)-one
IUPAC: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

4926-21-0CN6ZO8IRV45,7-Dimethyl(1,2,4)triazolo(4,3-a)pyridin-3(2H)-oneUNII-CN6ZO8IRV4NSC 760065,7-Dimethyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneNSC-76006DTXSID80197745S-TRIAZOLO(4,3-A)PYRIDIN-3-OL, 5,7-DIMETHYL-5,7-DIMETHYL-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE, 5,7-DIMETHYL-5,7-Dimethyl-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one

Show more names

RefChem:101390DTXCID40120236NSC76006MLS0026939675,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-oneHMS3079P13NCIOpen2_000940

Database identifiers

CAS: 4926-21-0
PubChem CID: 253282
DTXSID: DTXSID80197745
ChEMBL: CHEMBL1880046
UNII: CN6ZO8IRV4

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 338

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