ChemSpider 2D Image | 1-(3-Methylbutyl)-5-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid | C20H28N6O4

1-(3-Methylbutyl)-5-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

  • Molecular FormulaC20H28N6O4
  • Average mass416.474 Da
  • Monoisotopic mass416.217194 Da
  • ChemSpider ID29573397

More details:

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

1-(3-Methylbutyl)-5-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Methylbutyl)-5-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 5-[(2,3,5,6,7,8-hexahydro-2-methyl-3-oxo-1,2,4-triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1-(3-methylbutyl)- [ACD/Index Name]
Acide 1-(3-méthylbutyl)-5-[(2-méthyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.8±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 279.4±7.0 cm3

Click to predict properties on the Chemicalize site


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