ChemSpider 2D Image | 1-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamine | C9H14N6S

1-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamine

  • Molecular FormulaC9H14N6S
  • Average mass238.313 Da
  • Monoisotopic mass238.100067 Da
  • ChemSpider ID58197586

More details:

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

1-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamin [German] [ACD/IUPAC Name]
1-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamine [ACD/IUPAC Name]
1-(4-Méthyl-5-{[(1-méthyl-1H-pyrazol-5-yl)méthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)méthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 4-methyl-5-[[(1-methyl-1H-pyrazol-5-yl)methyl]thio]- [ACD/Index Name]
1-(4-methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]thio}-4H-1,2,4-triazol-3-yl)methanamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.9±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.95
Polar Surface Area: 100 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 165.8±7.0 cm3

Click to predict properties on the Chemicalize site


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