ChemSpider 2D Image | Octahydro[1,2,4]triazolo[4,3-b][1,2,4]triazine | C4H11N5

Octahydro[1,2,4]triazolo[4,3-b][1,2,4]triazine

  • Molecular FormulaC4H11N5
  • Average mass129.164 Da
  • Monoisotopic mass129.101440 Da
  • ChemSpider ID109872669

More details:

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

1,2,4-Triazolo[4,3-b][1,2,4]triazine, octahydro- [ACD/Index Name]
Octahydro[1,2,4]triazolo[4,3-b][1,2,4]triazin [German] [ACD/IUPAC Name]
Octahydro[1,2,4]triazolo[4,3-b][1,2,4]triazine [ACD/IUPAC Name]
Octahydro[1,2,4]triazolo[4,3-b][1,2,4]triazine [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: 237.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 133.4±24.8 °C
Index of Refraction: 1.649
Molar Refractivity: 34.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.47
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 95.9±5.0 cm3

Click to predict properties on the Chemicalize site


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