7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one

HCID 58772839
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Basic information

Standard SMILES
O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)ncn12
InChIKey
WDACDHSDVPOCJN-UHFFFAOYSA-N
Molecular formula
C18H11ClF3N5O
Average molar mass
405.8 g/mol

Names & identifiers

Preferred name
7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
IUPAC
7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Names & synonyms

7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-oneSCHEMBL4832435

Database identifiers

PubChem CID
58772839

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

Related reactions

4 records
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Compound notes

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