Basic information
- Standard SMILES
COc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(-n3cccc3)cc2)cc1- InChIKey
BOWJSIBYIHPCGZ-UHFFFAOYSA-N- Molecular formula
- C20H15F3N4O
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.1197956
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-5-[4-(1H-pyrrol-1yl)phenyl]-3-(trifluoro methyl)-1H-1,2,4-triazole
- IUPAC
- 1-(4-methoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
Names & synonyms
1-(4-methoxyphenyl)-5-[4-(1H-pyrrol-1yl)phenyl]-3-(trifluoro methyl)-1H-1,2,4-triazoleSCHEMBL61323991-(4-methoxyphenyl)-5-[4-(1H-pyrrol-1yl)phenyl]-3-(trifluoromethyl)-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 10200022
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 498
Related reactions
1 records
Linked notes
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