ChemSpider 2D Image | 1,2,4-Triazolo[4,3-a][1,3,5]triazin-5(1H)-one | C4H3N5O

1,2,4-Triazolo[4,3-a][1,3,5]triazin-5(1H)-one

  • Molecular FormulaC4H3N5O
  • Average mass137.100 Da
  • Monoisotopic mass137.033752 Da
  • ChemSpider ID29362374

More details:

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

[1,2,4]Triazolo[4,3-a][1,3,5]triazin-5(1H)-on [German] [ACD/IUPAC Name]
[1,2,4]Triazolo[4,3-a][1,3,5]triazin-5(1H)-one [ACD/IUPAC Name]
[1,2,4]Triazolo[4,3-a][1,3,5]triazin-5(1H)-one [French] [ACD/IUPAC Name]
1,2,4-Triazolo[4,3-a][1,3,5]triazin-5(1H)-one
1,2,4-Triazolo[4,3-a][1,3,5]triazin-5-ol [ACD/Index Name]
1427501-70-9 [RN]
1H-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-one
MFCD23703257

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

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.981
    Molar Refractivity: 32.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.49
    ACD/LogD (pH 5.5): -3.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 13.0±0.5 10-24cm3
    Surface Tension: 114.4±7.0 dyne/cm
    Molar Volume: 66.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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