Basic information
- CAS
5785-34-2- Standard SMILES
Nn1cnnc1NN=Cc1ccccc1C(F)(F)F- InChIKey
VUEXWIIFJZQXHX-UHFFFAOYSA-N- Molecular formula
- C10H9F3N6
- Average molar mass
- 270.21 g/mol
- Monoisotopic mass
- 270.0840788
Names & identifiers
- Preferred name
- 3-(2-{[2-(Trifluoromethyl)phenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,2,4-triazole-3,4-diamine
Names & synonyms
5785-34-2DTXSID403440313-(2-{[2-(Trifluoromethyl)phenyl]methylidene}hydrazinyl)-4H-1,2,4-triazol-4-amine3-(2-{[2-(Trifluoromethyl)phenyl]methylidene}hydrazin-1-yl)-4H-1,2,4-triazol-4-amine
Database identifiers
- CAS
5785-34-2- PubChem CID
- 594012
- DTXSID
DTXSID40344031
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…