ChemSpider 2D Image | 3-Oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(5H)-yl)-1-piperidinyl]propanenitrile | C15H15N7O

3-Oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(5H)-yl)-1-piperidinyl]propanenitrile

  • Molecular FormulaC15H15N7O
  • Average mass309.326 Da
  • Monoisotopic mass309.133820 Da
  • ChemSpider ID30826013

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinepropanenitrile, β-oxo-3-(pyrrolo[2,3-b]-1,2,3-triazolo[4,5-d]pyridin-1(6H)-yl)-, (3R)- [ACD/Index Name]
3-Oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(5H)-yl)-1-piperidinyl]propanenitrile [ACD/IUPAC Name]
3-Oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(5H)-yl)-1-pipéridinyl]propanenitrile [French] [ACD/IUPAC Name]
3-Oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(5H)-yl)-1-piperidinyl]propannitril [German] [ACD/IUPAC Name]
3-Oxo-3-[(3r)-3-(Pyrrolo[2,3-B][1,2,3]triazolo[4,5-D]pyridin-1(6h)-Yl)piperidin-1-Yl]propanenitrile
C5I

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.816
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.62
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 103 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 194.5±7.0 cm3

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