ChemSpider 2D Image | Octahydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine | C4H11N5

Octahydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine

  • Molecular FormulaC4H11N5
  • Average mass129.164 Da
  • Monoisotopic mass129.101440 Da
  • ChemSpider ID61492475

More details:

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

1H-1,2,3-Triazolo[4,5-d]pyrimidine, octahydro- [ACD/Index Name]
Octahydro-1H-[1,2,3]triazolo[4,5-d]pyrimidin [German] [ACD/IUPAC Name]
Octahydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine [ACD/IUPAC Name]
Octahydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine [French] [ACD/IUPAC Name]
273-39-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 247.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 114.1±25.2 °C
Index of Refraction: 1.462
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 120.9±3.0 cm3

Click to predict properties on the Chemicalize site


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