ChemSpider 2D Image | 5-{[(1S,3R)-3-(6H-Pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino}-2-pyrazinecarbonitrile | C17H15N9

5-{[(1S,3R)-3-(6H-Pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino}-2-pyrazinecarbonitrile

  • Molecular FormulaC17H15N9
  • Average mass345.361 Da
  • Monoisotopic mass345.145050 Da
  • ChemSpider ID59005448
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyrazinecarbonitrile, 5-[[(1S,3R)-3-(6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino]- [ACD/Index Name]
5-{[(1S,3R)-3-(6H-Pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-{[(1S,3R)-3-(6H-Pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino}-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-{[(1S,3R)-3-(6H-Pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentyl]amino}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.906
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 120 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 83.1±7.0 dyne/cm
Molar Volume: 204.2±7.0 cm3

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