ChemSpider 2D Image | 6-{(1S)-1-[6-(1-Methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline | C20H17N7

6-{(1S)-1-[6-(1-Methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline

  • Molecular FormulaC20H17N7
  • Average mass355.396 Da
  • Monoisotopic mass355.154541 Da
  • ChemSpider ID30834796
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

6-{(1S)-1-[6-(1-Methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}chinolin [German] [ACD/IUPAC Name]
6-{(1S)-1-[6-(1-Méthyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]éthyl}quinoléine [French] [ACD/IUPAC Name]
6-{(1S)-1-[6-(1-Methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline [ACD/IUPAC Name]
Quinoline, 6-[(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]ethyl]- [ACD/Index Name]
10.1021/jm400926x
959584-91-9 [RN]
PF 04254644
PF-04254644

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.758
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 24.73
ACD/KOC (pH 5.5): 327.38
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.91
ACD/KOC (pH 7.4): 395.97
Polar Surface Area: 74 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 255.3±7.0 cm3

Click to predict properties on the Chemicalize site






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