ChemSpider 2D Image | 1H-Pyrimido[5,4-c][1,2,5]triazepine | C6H5N5

1H-Pyrimido[5,4-c][1,2,5]triazepine

  • Molecular FormulaC6H5N5
  • Average mass147.137 Da
  • Monoisotopic mass147.054489 Da
  • ChemSpider ID24185418

More details:

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

1H-Pyrimido[5,4-c][1,2,5]triazepin [German] [ACD/IUPAC Name]
1H-Pyrimido[5,4-c][1,2,5]triazepine [ACD/IUPAC Name]
1H-Pyrimido[5,4-c][1,2,5]triazépine [French] [ACD/IUPAC Name]
1H-Pyrimido[5,4-c]-1,2,5-triazepine [ACD/Index Name]
1H-Pyrimido[5,4-c]-1,2,5-triazepine (9CI)
1H-PYRIMIDO[5,4-C]-1,2,5-TRIAZEPINE(9CI)
384850-65-1 [RN]
MFCD28044733

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

Density: 1.5±0.1 g/cm3
Boiling Point: 362.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 172.8±25.7 °C
Index of Refraction: 1.787
Molar Refractivity: 40.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.96
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.37
Polar Surface Area: 63 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 68.8±7.0 dyne/cm
Molar Volume: 95.6±7.0 cm3

Click to predict properties on the Chemicalize site


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