8-Chloro-7-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799393

Notes Reactions

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Basic information

CAS: 917969-26-7
Standard SMILES: Cc1ccc(-c2ccn3c(=O)[nH]nc3c2Cl)cc1
InChIKey: GMEKMVWPFRBGDC-UHFFFAOYSA-N
Molecular formula: C13H10ClN3O
Average molar mass: 259.69 g/mol
Monoisotopic mass: 259.05123962

Names & identifiers

Preferred name: 8-Chloro-7-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC: 8-chloro-7-(4-methylphenyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

917969-26-78-Chloro-7-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4475710DTXSID70727934GMEKMVWPFRBGDC-UHFFFAOYSA-NDB-1975918-chloro-7-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one8-Chloro-7-(4-methylphenyl)-1,2,4-triazolo[4,3-a]pyridin-3(2h)-one

Database identifiers

CAS: 917969-26-7
PubChem CID: 57799393
DTXSID: DTXSID70727934

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 473

Related reactions

5 records

New reaction record

HRID 701999As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1566653As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2101276As productuspto-grants-2009_08

HRID 2101277As reactantuspto-grants-2009_08

HRID 2101279As reactantuspto-grants-2009_08

Compound notes

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