7-chloro-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799428
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Basic information

Standard SMILES
O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(-c3ccncc3)c(Cl)ccn12
InChIKey
VUCSDCIKTASLGO-UHFFFAOYSA-N
Molecular formula
C18H11ClF3N5O
Average molar mass
405.8 g/mol

Names & identifiers

Preferred name
7-chloro-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC
7-chloro-8-pyridin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

7-chloro-8-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4479631

Database identifiers

PubChem CID
57799428

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
61.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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