ChemSpider 2D Image | 4,6-Dimethyl-3,4-dihydropyrazolo[3,4-d][1,2,3]triazole 1-oxide | C5H7N5O

4,6-Dimethyl-3,4-dihydropyrazolo[3,4-d][1,2,3]triazole 1-oxide

  • Molecular FormulaC5H7N5O
  • Average mass153.142 Da
  • Monoisotopic mass153.065063 Da
  • ChemSpider ID21522689

More details:

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

1-Oxyde de 4,6-diméthyl-3,4-dihydropyrazolo[3,4-d][1,2,3]triazole [French] [ACD/IUPAC Name]
4,6-Dimethyl-3,4-dihydropyrazolo[3,4-d][1,2,3]triazol-1-oxid [German] [ACD/IUPAC Name]
4,6-Dimethyl-3,4-dihydropyrazolo[3,4-d][1,2,3]triazole 1-oxide [ACD/IUPAC Name]
Pyrazolo[3,4-d]-1,2,3-triazole, 3,4-dihydro-4,6-dimethyl-, 1-oxide [ACD/Index Name]
371226-98-1 [RN]
4,6-dimethyl-1-oxo-3,4-dihydro-1H-pyrazolo[3,4-d][1,2,3]triazol-1-ium-2-ide
Pyrazolo[3,4-d]-1,2,3-triazole, 3,4-dihydro-4,6-dimethyl-, 1-oxide (9CI)

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 367.8±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 176.2±25.7 °C
    Index of Refraction: 1.823
    Molar Refractivity: 38.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -2.05
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.93
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.14
    Polar Surface Area: 72 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 74.3±7.0 dyne/cm
    Molar Volume: 87.2±7.0 cm3

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