Basic information
- Standard SMILES
CCN(CC)c1nc(C(C)(C)C)nn1-c1c(Cl)cc(OC(F)(F)F)cc1Cl- InChIKey
MYCAXYZELZQDHO-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2F3N4O
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- 2,6-dichloro-4-trifluoromethoxyphenyl-5-(N,N-diethylamino)-3-(tert-butyl)-1H-1,2,4-triazole
- IUPAC
- 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine
Names & synonyms
SCHEMBL9666528MYCAXYZELZQDHO-UHFFFAOYSA-N2,6-dichloro-4-trifluoromethoxyphenyl-5-(N,N-diethylamino)-3-(tert-butyl)-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 14624364
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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