ChemSpider 2D Image | 2,3-Dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(6H,7aH)-dione | C4H5N5O2

2,3-Dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(6H,7aH)-dione

  • Molecular FormulaC4H5N5O2
  • Average mass155.115 Da
  • Monoisotopic mass155.044327 Da
  • ChemSpider ID28536796

More details:

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

1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(6H,7aH)-dione, 2,3-dihydro- [ACD/Index Name]
2,3-Dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5,7(6H,7aH)-dion [German] [ACD/IUPAC Name]
2,3-Dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(6H,7aH)-dione [ACD/IUPAC Name]
2,3-Dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(6H,7aH)-dione [French] [ACD/IUPAC Name]
1468-26-4 [RN]
412278-90-1 [RN]
MFCD00037976 [MDL number]
MFCD23701567

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

    Density: 2.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 2.220
    Molar Refractivity: 32.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.16
    ACD/LogD (pH 5.5): -1.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.56
    ACD/LogD (pH 7.4): -1.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.65
    Polar Surface Area: 95 Å2
    Polarizability: 13.0±0.5 10-24cm3
    Surface Tension: 170.4±7.0 dyne/cm
    Molar Volume: 57.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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