ChemSpider 2D Image | 2-(3-Aminopropyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C9H16N4O

2-(3-Aminopropyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC9H16N4O
  • Average mass196.249 Da
  • Monoisotopic mass196.132416 Da
  • ChemSpider ID25994584

More details:

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

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-(3-aminopropyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
1146290-28-9 [RN]
2-(3-Aminopropyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-(3-Aminopropyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-(3-Aminopropyl)-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
2-(3-aminopropyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyridin-3-one
2-(3-aminopropyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-one
MFCD11858072 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 304.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.0±28.4 °C
Index of Refraction: 1.671
Molar Refractivity: 52.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -4.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 140.8±7.0 cm3

Click to predict properties on the Chemicalize site


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