ChemSpider 2D Image | 6-(3-Isopropyl-1H-pyrazol-5-yl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C12H16N6S

6-(3-Isopropyl-1H-pyrazol-5-yl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC12H16N6S
  • Average mass276.361 Da
  • Monoisotopic mass276.115723 Da
  • ChemSpider ID26022795

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-[3-(1-methylethyl)-1H-pyrazol-5-yl]-3-propyl- [ACD/Index Name]
6-(3-Isopropyl-1H-pyrazol-5-yl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(3-Isopropyl-1H-pyrazol-5-yl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(3-Isopropyl-1H-pyrazol-5-yl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
6-(5-Isopropyl-2H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(5-propan-2-yl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[3-(propan-2-yl)-1H-pyrazol-5-yl]-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.759
    Molar Refractivity: 76.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 41.97
    ACD/KOC (pH 5.5): 505.02
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 41.97
    ACD/KOC (pH 7.4): 504.97
    Polar Surface Area: 100 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 57.3±7.0 dyne/cm
    Molar Volume: 186.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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