7-(4-chlorophenyl)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

HCID 58772822
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Basic information

Standard SMILES
O=c1[nH]nc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)ncn12
InChIKey
ZSNLAAQGEFJFDZ-UHFFFAOYSA-N
Molecular formula
C17H11ClN4O
Average molar mass
322.7 g/mol

Names & identifiers

Preferred name
7-(4-chlorophenyl)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
IUPAC
7-(4-chlorophenyl)-8-phenyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Names & synonyms

SCHEMBL4841633ZSNLAAQGEFJFDZ-UHFFFAOYSA-N7-(4-chlorophenyl)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Database identifiers

PubChem CID
58772822

Properties

Computed structural properties

XLogP
3
Topological polar surface area
57.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

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