ChemSpider 2D Image | 6-(2-Methyl-1,3-oxazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C11H9N7OS

6-(2-Methyl-1,3-oxazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC11H9N7OS
  • Average mass287.301 Da
  • Monoisotopic mass287.058929 Da
  • ChemSpider ID31100678

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-methyl-4-oxazolyl)-3-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
6-(2-Methyl-1,3-oxazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(2-Methyl-1,3-oxazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(2-Méthyl-1,3-oxazol-4-yl)-3-(1-méthyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
1401581-65-4 [RN]
2-methyl-4-[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-oxazole

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.910
    Molar Refractivity: 75.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 0.82
    ACD/BCF (pH 5.5): 2.46
    ACD/KOC (pH 5.5): 66.38
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 2.46
    ACD/KOC (pH 7.4): 66.38
    Polar Surface Area: 115 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 81.2±7.0 dyne/cm
    Molar Volume: 160.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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