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

HCID 57799386

Notes Reactions

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Basic information

CAS: 917969-64-3
Standard SMILES: O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)ccn12
InChIKey: QIFBTFJUFIBQIS-UHFFFAOYSA-N
Molecular formula: C18H11Cl2N3O
Average molar mass: 356.2 g/mol
Monoisotopic mass: 355.02791733

Names & identifiers

Preferred name: 7,8-Bis(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC: 7,8-bis(4-chlorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

917969-64-3SCHEMBL4474332DTXSID50727932QIFBTFJUFIBQIS-UHFFFAOYSA-N7,8-Bis(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneDB-1973577,8-Bis(4-chlorophenyl)-1,2,4-triazolo[4,3-a]pyridin-3(2h)-one7,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Database identifiers

CAS: 917969-64-3
PubChem CID: 57799386
DTXSID: DTXSID50727932

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 612

Related reactions

8 records

New reaction record

HRID 196132As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 940514As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1237487As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2101369As productuspto-grants-2009_08

HRID 2101370As reactantuspto-grants-2009_08

HRID 2101371As reactantuspto-grants-2009_08

HRID 2101372As reactantuspto-grants-2009_08

HRID 2101373As reactantuspto-grants-2009_08

Compound notes

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