ChemSpider 2D Image | Pyrrolo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione | C6H5N3O2

Pyrrolo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione

  • Molecular FormulaC6H5N3O2
  • Average mass151.123 Da
  • Monoisotopic mass151.038177 Da
  • ChemSpider ID14255686

More details:

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

1H,2H,3H,4H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
54449-30-8 [RN]
Pyrrolo[1,2-a][1,3,5]triazin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione [ACD/IUPAC Name]
Pyrrolo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione [ACD/Index Name]
1H,3H-PYRROLO[1,2-A][1,3,5]TRIAZINE-2,4-DIONE
1H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
MFCD13195518 [MDL number]
PYRROLO(1,2-A)-1,3,5-TRIAZINE-2,4(1H.3H)-DIONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.793
    Molar Refractivity: 36.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.55
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.31
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.47
    Polar Surface Area: 63 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 82.3±7.0 dyne/cm
    Molar Volume: 86.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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