ChemSpider 2D Image | 3-{[2-(1-Piperidinyl)ethyl]sulfanyl}-1H-1,2,4-triazol-5-amine | C9H17N5S

3-{[2-(1-Piperidinyl)ethyl]sulfanyl}-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC9H17N5S
  • Average mass227.330 Da
  • Monoisotopic mass227.120468 Da
  • ChemSpider ID17919872

More details:

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

3-{[2-(1-Piperidinyl)ethyl]sulfanyl}-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-{[2-(1-Piperidinyl)ethyl]sulfanyl}-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-{[2-(1-Pipéridinyl)éthyl]sulfanyl}-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-3-amine, 5-[[2-(1-piperidinyl)ethyl]thio]- [ACD/Index Name]
5-{[2-(Piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-amine
3-(2-piperidin-1-ylethylsulfanyl)-1H-1,2,4-triazol-5-amine
5-((2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-amine
5-(2-piperidylethylthio)-4H-1,2,4-triazole-3-ylamine
5-{[2-(1-piperidinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-ylamine
5-{[2-(1-piperidinyl)ethyl]thio}-4H-1,2,4-triazol-3-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 457.7±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 230.6±29.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 62.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): -1.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.15
    Polar Surface Area: 96 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 73.2±5.0 dyne/cm
    Molar Volume: 175.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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