3-(2-chloro-6-fluorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazole

HCID 21463664
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Basic information

Standard SMILES
Cc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Oc1ccc(C(F)(F)F)cn1
InChIKey
WMUVAMOAKNJWGJ-UHFFFAOYSA-N
Molecular formula
C22H15ClF4N4O
Average molar mass
462.8 g/mol

Names & identifiers

Preferred name
3-(2-chloro-6-fluorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazole
IUPAC
2-[5-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-2-methylphenoxy]-5-(trifluoromethyl)pyridine

Names & synonyms

3-(2-chloro-6-fluorophenyl)-1-methyl-5-[4-methyl-3-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazoleSCHEMBL83007163-(2-chloro-6-fluorophenyl)-1-methyl-5-[4-methyl-3(5-trifluoromethylpyridine-2-yloxy)phenyl]-1H-1,2,4-triazole

Database identifiers

PubChem CID
21463664

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

2 records
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Compound notes

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