ChemSpider 2D Image | 6-Benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one | C12H9ClN4O

6-Benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one

  • Molecular FormulaC12H9ClN4O
  • Average mass260.679 Da
  • Monoisotopic mass260.046478 Da
  • ChemSpider ID26328097

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7(3H)-one, 5-chloro-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-5-chlor[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-on [German] [ACD/IUPAC Name]
6-Benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [ACD/IUPAC Name]
6-Benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [French] [ACD/IUPAC Name]
6-Benzyl-5-Chloro[1,2,4]triazolo[1,5-A]pyrimidin-7(3h)-One
MW5

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.5±30.7 °C
Index of Refraction: 1.733
Molar Refractivity: 68.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.37
ACD/KOC (pH 5.5): 130.92
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.37
ACD/KOC (pH 7.4): 130.92
Polar Surface Area: 57 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 171.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement