ChemSpider 2D Image | 4-[3-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile | C19H12N8

4-[3-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile

  • Molecular FormulaC19H12N8
  • Average mass352.352 Da
  • Monoisotopic mass352.118500 Da
  • ChemSpider ID28642070

More details:

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

4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
4-[3-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitril [German] [ACD/IUPAC Name]
4-[3-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile [ACD/IUPAC Name]
4-[3-(1H-Pyrrolo[2,3-b]pyridin-3-ylméthyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-triazolo[4,3-b][1,2,4]triazin-6-yl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 145.19
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 157.76
Polar Surface Area: 108 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 231.6±7.0 cm3

Click to predict properties on the Chemicalize site


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