Basic information
- Standard SMILES
CC(CC(=O)N=[N+]=[N-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
KQBWUZBAYJBVTK-UHFFFAOYSA-N- Molecular formula
- C19H15F3N6O2
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)butanoyl azide
- IUPAC
- 3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butanoyl azide
Names & synonyms
3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)butanoyl azideSCHEMBL16030165
Database identifiers
- PubChem CID
- 90404229
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 626
Related reactions
6 records
Compound notes
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