ChemSpider 2D Image | 4-[2-Oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]-1-piperazinecarbonitrile | C12H16N6O2

4-[2-Oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]-1-piperazinecarbonitrile

  • Molecular FormulaC12H16N6O2
  • Average mass276.294 Da
  • Monoisotopic mass276.133484 Da
  • ChemSpider ID30653233

More details:

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

1-Piperazinecarbonitrile, 4-[2-oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]- [ACD/Index Name]
4-[2-Oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]-1-piperazincarbonitril [German] [ACD/IUPAC Name]
4-[2-Oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]-1-piperazinecarbonitrile [ACD/IUPAC Name]
4-[2-Oxo-6-(1-pyrrolidinyl)-2H-1,3,5-oxadiazin-4-yl]-1-pipérazinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 459.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 72.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.61
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.67
Polar Surface Area: 85 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 182.7±7.0 cm3

Click to predict properties on the Chemicalize site


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