ChemSpider 2D Image | N-Isopropyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | C17H19N7

N-Isopropyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine

  • Molecular FormulaC17H19N7
  • Average mass321.380 Da
  • Monoisotopic mass321.170197 Da
  • ChemSpider ID30834793

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Triazolo[4,3-b]pyridazin-6-amine, N-(1-methylethyl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]- [ACD/Index Name]
N-Isopropyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amin [German] [ACD/IUPAC Name]
N-Isopropyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine [ACD/IUPAC Name]
N-Isopropyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)éthyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.34
ACD/KOC (pH 5.5): 218.77
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.11
ACD/KOC (pH 7.4): 231.41
Polar Surface Area: 84 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 228.6±7.0 cm3

Click to predict properties on the Chemicalize site


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