ChemSpider 2D Image | 3-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-4(3H)-pteridinone | C15H11N7O

3-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-4(3H)-pteridinone

  • Molecular FormulaC15H11N7O
  • Average mass305.294 Da
  • Monoisotopic mass305.102509 Da
  • ChemSpider ID22756065

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-4(3H)-pteridinon [German] [ACD/IUPAC Name]
3-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-4(3H)-pteridinone [ACD/IUPAC Name]
3-[2-(1H-1,2,4-Triazol-1-yl)benzyl]-4(3H)-ptéridinone [French] [ACD/IUPAC Name]
4(3H)-Pteridinone, 3-[[2-(1H-1,2,4-triazol-1-yl)phenyl]methyl]- [ACD/Index Name]
3-[2-(1H-1,2,4-triazol-1-yl)benzyl]pteridin-4(3H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 610.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.69
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.71
Polar Surface Area: 89 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 202.4±7.0 cm3

Click to predict properties on the Chemicalize site


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