Basic information
- CAS
69095-75-6- Standard SMILES
COc1ccccc1-c1n[nH]c(-c2ccccc2C)n1- InChIKey
JCUSTVVFOVQQLS-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- s-Triazole, 5-(o-methoxyphenyl)-3-(o-tolyl)-
- IUPAC
- 3-(2-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
- English name
- 5-(2-Methoxyphenyl)-3-(o-tolyl)-1H-1,2,4-triazole
- Molecular weight
- 0
Names & synonyms
s-Triazole, 5-(o-methoxyphenyl)-3-(o-tolyl)-69095-75-6BRN 55734935-(o-Methoxyphenyl)-3-(o-tolyl)-s-triazole1H-1,2,4-Triazole, 3-(2-methoxyphenyl)-5-(2-methylphenyl)-CHEMBL416727SCHEMBL11175366DTXSID802191383-(2-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole5-(2-Methoxyphenyl)-3-(o-tolyl)-1H-1,2,4-triazole
Database identifiers
- CAS
69095-75-6- PubChem CID
- 134256
- DTXSID
DTXSID80219138- ChEMBL
CHEMBL416727- Nikkaji
- J91.083J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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