ChemSpider 2D Image | 1-(4-Methyl-5-{[3-(1H-pyrazol-1-yl)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamine | C10H16N6S

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

  • Molecular FormulaC10H16N6S
  • Average mass252.339 Da
  • Monoisotopic mass252.115707 Da
  • ChemSpider ID57629455

More details:

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

1-(4-Methyl-5-{[3-(1H-pyrazol-1-yl)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamin [German] [ACD/IUPAC Name]
1-(4-Methyl-5-{[3-(1H-pyrazol-1-yl)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methanamine [ACD/IUPAC Name]
1-(4-Méthyl-5-{[3-(1H-pyrazol-1-yl)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)méthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 4-methyl-5-[[3-(1H-pyrazol-1-yl)propyl]thio]- [ACD/Index Name]
1-(4-methyl-5-{[3-(1H-pyrazol-1-yl)propyl]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: 482.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.8±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.19
Polar Surface Area: 100 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 182.8±7.0 cm3

Click to predict properties on the Chemicalize site


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