Basic information
- Standard SMILES
Cn1nc(C(F)(F)F)nc1S(C)(=O)=O- InChIKey
SGFZQNVBBBWMDW-UHFFFAOYSA-N- Molecular formula
- C5H6F3N3O2S
- Average molar mass
- 229.18 g/mol
Names & identifiers
- Preferred name
- 1-methyl-3-trifluoromethyl-5-methylsulfonyl-1H-1,2,4-triazole
- IUPAC
- 1-methyl-5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazole
Names & synonyms
1-methyl-3-trifluoromethyl-5-methylsulfonyl-1H-1,2,4-triazoleSCHEMBL6092618
Database identifiers
- PubChem CID
- 21298098
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Related reactions
1 records
Compound notes
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