ChemSpider 2D Image | 1,3-Dimethyl-5-(methylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazine | C7H9N5O2S

1,3-Dimethyl-5-(methylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazine

  • Molecular FormulaC7H9N5O2S
  • Average mass227.244 Da
  • Monoisotopic mass227.047699 Da
  • ChemSpider ID24784025

More details:

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

1,3-Dimethyl-5-(methylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazin [German] [ACD/IUPAC Name]
1,3-Dimethyl-5-(methylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazine [ACD/IUPAC Name]
1,3-Diméthyl-5-(méthylsulfonyl)-1H-pyrazolo[4,3-e][1,2,4]triazine [French] [ACD/IUPAC Name]
1H-Pyrazolo[4,3-e][1,2,4]triazine, 1,3-dimethyl-5-(methylsulfonyl)- [ACD/Index Name]
1,3-dimethyl-5-methylsulfonylpyrazolo[4,3-e][1,2,4]triazine
871253-78-0 [RN]
AGN-PC-08S49R
AKOS004902795
CHEMBL3261396
MFCD28133942

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 448.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 225.1±26.5 °C
    Index of Refraction: 1.747
    Molar Refractivity: 55.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.07
    ACD/LogD (pH 5.5): 0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.41
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 30.41
    Polar Surface Area: 99 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 66.1±7.0 dyne/cm
    Molar Volume: 135.6±7.0 cm3

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