ChemSpider 2D Image | 3-Benzyl-6-isopropyl-5-methoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C15H17N5O2

3-Benzyl-6-isopropyl-5-methoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC15H17N5O2
  • Average mass299.328 Da
  • Monoisotopic mass299.138214 Da
  • ChemSpider ID21128433

More details:

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

3-Benzyl-6-isopropyl-5-methoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
3-Benzyl-6-isopropyl-5-methoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
3-Benzyl-6-isopropyl-5-méthoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-5-methoxy-6-(1-methylethyl)-3-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.9±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 206.69
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 206.69
Polar Surface Area: 73 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 225.4±7.0 cm3

Click to predict properties on the Chemicalize site


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