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

HCID 58772840
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Basic information

Standard SMILES
O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(Cl)n12
InChIKey
JJQLGDMKJUKZLX-UHFFFAOYSA-N
Molecular formula
C17H9Cl3N4O
Average molar mass
391.6 g/mol
Monoisotopic mass
389.984194

Names & identifiers

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

Names & synonyms

SCHEMBL4840994JJQLGDMKJUKZLX-UHFFFAOYSA-N5-chloro-7,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

Database identifiers

PubChem CID
58772840

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
57.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
25

Related reactions

20 records
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Compound notes

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