Basic information
- Standard SMILES
O=c1[nH]ncn1-c1ccc(OC(F)(F)F)cc1- InChIKey
CSKHWBXGLJOXIO-UHFFFAOYSA-N- Molecular formula
- C9H6F3N3O2
- Average molar mass
- 245.16 g/mol
Names & identifiers
- Preferred name
- 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
Names & synonyms
155431-35-94-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-oneMFCD041257944-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one4-(4-(Trifluoromethoxy)phenyl)-1H-1,2,4-triazol-5(4H)-one4-(4-(Trifluoromethoxy)phenyl)-4H-1,2,4-triazol-3-olSCHEMBL87188334-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-oneAKOS005096625CS-04473216N-083SR-01000306940
Show more names
SR-01000306940-14-(4-trifluoromethoxyphenyl)-3(2H,4H)-1,2,4-triazolone
Database identifiers
- PubChem CID
- 1480931
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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