7-ethoxy-2,5-diphenyl-[1,2,4]triazolo[1,5-c]pyrimidine

• ChemBase ID: 179919
• Molecular Formular: C19H16N4O
• Molecular Mass: 316.35654
• Monoisotopic Mass: 316.13241115
• SMILES: CCOc1cc2nc(c3ccccc3)nn2c(c2ccccc2)n1
• Canonical SMILES: CCOc1cc2nc(nn2c(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16N4O/c1-2-24-17-13-16-20-18(14-9-5-3-6-10-14)22-23(16)19(21-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
• InChIKey: OVNRLLJZITTWAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-2,5-diphenyl-[1,2,4]triazolo[1,5-c]pyrimidine
• IUPAC Traditional name: 7-ethoxy-2,5-diphenyl-[1,2,4]triazolo[1,5-c]pyrimidine

Database IDs

• PubChem SID: 164235829
• PubChem CID: 71753051

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2887034
• LogD (pH = 7.4): 5.2887235
• Log P: 5.2887235
• Molar Refractivity: 124.9857 cm^3
• Polarizability: 36.442013 Å^3
• Polar Surface Area: 52.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false