Basic information
- CAS
69095-72-3- Standard SMILES
COc1cccc(-c2n[nH]c(-c3ccccc3C)n2)c1- InChIKey
JWAMHAADNHBVOK-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- s-Triazole, 5-(m-methoxyphenyl)-3-(o-tolyl)-
- IUPAC
- 3-(3-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
- English name
- 5-(3-Methoxyphenyl)-3-(o-tolyl)-1H-1,2,4-triazole
- Molecular weight
- 0
Names & synonyms
69095-72-3s-Triazole, 5-(m-methoxyphenyl)-3-(o-tolyl)-3-(3-Methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole5-(3-Methoxyphenyl)-3-(o-tolyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 3-(3-methoxyphenyl)-5-(2-methylphenyl)-L 129875-(m-Methoxyphenyl)-3-(o-tolyl)-2-triazole5-(m-Methoxyphenyl)-3-(o-tolyl)-s-triazole1H-1,2,4-Triazole,3-(3-methoxyphenyl)-5-(2-methylphenyl)55Y9ARV22HCHEMBL417269SCHEMBL10476791
Show more names
DTXSID00219135JWAMHAADNHBVOK-UHFFFAOYSA-N
Database identifiers
- CAS
69095-72-3- PubChem CID
- 134253
- DTXSID
DTXSID00219135- ChEMBL
CHEMBL417269- UNII
- 55Y9ARV22H
- Nikkaji
- J91.082A
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
Physicochemical properties
- Boiling point
- 408.53 °C · 408.53°C (rough estimate)
- Density
- 1.0944 · 1.0944 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- FDA UNII
- 55 Y9ARV22H · 55Y9ARV22H
Related reactions
6 records
Compound notes
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