ChemSpider 2D Image | 6-(1-Benzyl-1H-indol-2-yl)-3-methyl-N-(1-methyl-4-piperidinyl)[1,2,4]triazolo[4,3-b]pyridazin-8-amine | C27H29N7

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

  • Molecular FormulaC27H29N7
  • Average mass451.566 Da
  • Monoisotopic mass451.248444 Da
  • ChemSpider ID76732168

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-N-(1-methyl-4-piperidinyl)-6-[1-(phenylmethyl)-1H-indol-2-yl]- [ACD/Index Name]
6-(1-Benzyl-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-(1-Benzyl-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-(1-Benzyl-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: 1.714
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 18.82
ACD/KOC (pH 7.4): 117.59
Polar Surface Area: 63 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 345.2±7.0 cm3

Click to predict properties on the Chemicalize site


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