ChemSpider 2D Image | 3-[(6-Chloro-3-pyridinyl)methyl]-6-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-imine | C13H14ClN7

3-[(6-Chloro-3-pyridinyl)methyl]-6-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-imine

  • Molecular FormulaC13H14ClN7
  • Average mass303.750 Da
  • Monoisotopic mass303.099915 Da
  • ChemSpider ID30655078

More details:

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

3-[(6-Chlor-3-pyridinyl)methyl]-6-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-imin [German] [ACD/IUPAC Name]
3-[(6-Chloro-3-pyridinyl)methyl]-6-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-imine [ACD/IUPAC Name]
3-[(6-Chloro-3-pyridinyl)méthyl]-6-propyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-imine [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-imine, 3-[(6-chloro-3-pyridinyl)methyl]-3,6-dihydro-6-propyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±32.9 °C
Index of Refraction: 1.737
Molar Refractivity: 81.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.35
ACD/KOC (pH 5.5): 115.38
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 116.09
Polar Surface Area: 83 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 202.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement