Basic information
- CAS
70187-22-3- Standard SMILES
COc1ccc(-c2nncn2-c2ccccc2)cc1- InChIKey
JIXYFZKFYITQCJ-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
- IUPAC
- 3-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole
- English name
- 3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
- Molecular formula
- C15H13N3O
- Molecular weight
- 251.28
Names & synonyms
3-(4-Methoxyphenyl)-4-phenyl-4H-1,2,4-triazole3-Mppt70187-22-3DTXSID202204604H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-phenyl-RefChem:92470DTXCID201429513-(4-methoxyphenyl)-4-phenyl-1,2,4-triazoleSCHEMBL10625090
Database identifiers
- CAS
70187-22-3- PubChem CID
- 189754
- DTXSID
DTXSID20220460
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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