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

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

  • Molecular FormulaC12H16N6S
  • Average mass276.361 Da
  • Monoisotopic mass276.115723 Da
  • ChemSpider ID26011234

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-(1-methylethyl)-6-[3-(1-methylethyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
3-Isopropyl-6-(3-isopropyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-Isopropyl-6-(3-isopropyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-Isopropyl-6-(3-isopropyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
1187563-63-8 [RN]
3-(propan-2-yl)-6-[3-(propan-2-yl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-propan-2-yl-6-(5-propan-2-yl-1H-pyrazol-3-yl)-[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: 1.761
    Molar Refractivity: 76.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 41.88
    ACD/KOC (pH 5.5): 504.21
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 41.87
    ACD/KOC (pH 7.4): 504.16
    Polar Surface Area: 100 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 185.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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