2-cyano-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)acetamide

HCID 71209307
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Basic information

Standard SMILES
N#CCC(=O)Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIKey
WJJMHWANNMZVDJ-UHFFFAOYSA-N
Molecular formula
C18H12F3N5O2
Average molar mass
387.3 g/mol

Names & identifiers

Preferred name
2-cyano-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)acetamide
IUPAC
2-cyano-N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]acetamide

Names & synonyms

2-cyano-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)acetamideSCHEMBL14577036

Database identifiers

PubChem CID
71209307

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
92.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
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Compound notes

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