ChemSpider 2D Image | 4-Chloro-N-(5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-amine | C13H14ClN7O

4-Chloro-N-(5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-amine

  • Molecular FormulaC13H14ClN7O
  • Average mass319.750 Da
  • Monoisotopic mass319.094849 Da
  • ChemSpider ID68148996

More details:

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

4-Chlor-N-(5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-amin [German] [ACD/IUPAC Name]
4-Chloro-N-(5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-amine [ACD/IUPAC Name]
4-Chloro-N-(5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylméthyl)-1-méthyl-1H-pyrazolo[3,4-b]pyridin-6-amine [French] [ACD/IUPAC Name]
8H-1,2,4-Triazolo[3,4-c][1,4]oxazine-3-methanamine, N-(4-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl)-5,6-dihydro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 624.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±34.3 °C
Index of Refraction: 1.812
Molar Refractivity: 81.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 118.90
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.72
ACD/KOC (pH 7.4): 121.29
Polar Surface Area: 83 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 187.9±7.0 cm3

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