5-(m-Ethoxyphenyl)-3-(o-tolyl)-s-triazole
Basic information
- CAS
69095-80-3- Standard SMILES
CCOc1cccc(-c2n[nH]c(-c3ccccc3C)n2)c1- InChIKey
RTUMUTCJTDAUBX-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Names & identifiers
- Preferred name
- 5-(m-Ethoxyphenyl)-3-(o-tolyl)-s-triazole
- IUPAC
- 3-(3-ethoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
Names & synonyms
69095-80-3s-Triazole, 5-(m-ethoxyphenyl)-3-(o-tolyl)-3-(3-Ethoxyphenyl)-5-(o-tolyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 3-(3-ethoxyphenyl)-5-(2-methylphenyl)-5-(m-Ethoxyphenyl)-3-(o-tolyl)-s-triazoleBRN 55697523-(3-ethoxyphenyl)-5-(2-methylphenyl)-1h-1,2,4-triazoleCHEMBL276329K9N6Y586RUSCHEMBL11178374DTXSID009888145-(3-Ethoxyphenyl)-3-(2-methylphenyl)-1H-1,2,4-triazole
Database identifiers
- CAS
69095-80-3- PubChem CID
- 135296
- DTXSID
DTXSID00988814- ChEMBL
CHEMBL276329- UNII
- K9N6Y586RU
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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