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

HCID 58772838
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Basic information

Standard SMILES
Nc1c(Cl)ncn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc12
InChIKey
HIGBCYVJOQNIPV-UHFFFAOYSA-N
Molecular formula
C12H8ClF3N6O
Average molar mass
344.68 g/mol

Names & identifiers

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

Names & synonyms

8-amino-7-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-oneSCHEMBL4842112

Database identifiers

PubChem CID
58772838

Properties

Computed structural properties

XLogP
1
Topological polar surface area
87.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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