ChemSpider 2D Image | 2,5-Diamino[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | C5H6N6O

2,5-Diamino[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

  • Molecular FormulaC5H6N6O
  • Average mass166.141 Da
  • Monoisotopic mass166.060303 Da
  • ChemSpider ID43179236

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-diamino- [ACD/Index Name]
2,5-Diamino[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-on [German] [ACD/IUPAC Name]
2,5-Diamino[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one [ACD/IUPAC Name]
2,5-Diamino[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one [French] [ACD/IUPAC Name]
2,5-diamino-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
89323-33-1 [RN]
MFCD18363735

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

Density: 2.3±0.1 g/cm3
Boiling Point: 585.3±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±30.9 °C
Index of Refraction: 2.105
Molar Refractivity: 38.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.11
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.12
Polar Surface Area: 112 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 150.3±7.0 dyne/cm
Molar Volume: 71.7±7.0 cm3

Click to predict properties on the Chemicalize site


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