ChemSpider 2D Image | 6-(3-Benzyl-1-methyl-1H-indol-2-yl)-3-methyl-N-(1-methyl-4-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amine | C28H31N7

6-(3-Benzyl-1-methyl-1H-indol-2-yl)-3-methyl-N-(1-methyl-4-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amine

  • Molecular FormulaC28H31N7
  • Average mass465.593 Da
  • Monoisotopic mass465.264099 Da
  • ChemSpider ID76729879

More details:

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

1,2,4-Triazolo[4,3-b]pyridazin-8-amine, 3-methyl-6-[1-methyl-3-(phenylmethyl)-1H-indol-2-yl]-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
6-(3-Benzyl-1-methyl-1H-indol-2-yl)-3-methyl-N-(1-methyl-4-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amin [German] [ACD/IUPAC Name]
6-(3-Benzyl-1-methyl-1H-indol-2-yl)-3-methyl-N-(1-methyl-4-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amine [ACD/IUPAC Name]
6-(3-Benzyl-1-méthyl-1H-indol-2-yl)-3-méthyl-N-(1-méthyl-4-pipéridinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 32.11
ACD/KOC (pH 7.4): 172.06
Polar Surface Area: 63 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 360.3±7.0 cm3

Click to predict properties on the Chemicalize site


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