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

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

  • Molecular FormulaC10H16N6S
  • Average mass252.339 Da
  • Monoisotopic mass252.115707 Da
  • ChemSpider ID57623173

More details:

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

1-(5-{[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methanamin [German] [ACD/IUPAC Name]
1-(5-{[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methanamine [ACD/IUPAC Name]
1-(5-{[(1,5-Diméthyl-1H-pyrazol-4-yl)méthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)méthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 5-[[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]thio]-4-methyl- [ACD/Index Name]
1-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]thio}-4-methyl-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: 480.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.12
Polar Surface Area: 100 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 181.0±7.0 cm3

Click to predict properties on the Chemicalize site


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