ChemSpider 2D Image | 3-(1-Methyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C14H11N7S

3-(1-Methyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC14H11N7S
  • Average mass309.349 Da
  • Monoisotopic mass309.079651 Da
  • ChemSpider ID31101078

  • Double-bond stereo - Double-bond stereo

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-methyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)ethenyl]- [ACD/Index Name]
3-(1-Methyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-(1-Methyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-(1-Méthyl-1H-pyrazol-4-yl)-6-[(E)-2-(3-pyridinyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
1401611-71-9 [RN]
3-(1-methyl-1H-pyrazol-4-yl)-6-[(E)-2-(pyridin-3-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(1-methylpyrazol-4-yl)-6-[(E)-2-pyridin-3-ylethenyl]-[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: 1.813
    Molar Refractivity: 87.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.50
    ACD/KOC (pH 5.5): 235.09
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.68
    ACD/KOC (pH 7.4): 238.12
    Polar Surface Area: 102 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 69.2±7.0 dyne/cm
    Molar Volume: 202.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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