ChemSpider 2D Image | 3-{[4-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine | C14H23N7S

3-{[4-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID63096907

More details:






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

1,2,4-Thiadiazol-5-amine, 3-[[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl]-N,N-dimethyl- [ACD/Index Name]
3-{[4-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amin [German] [ACD/IUPAC Name]
3-{[4-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine [ACD/IUPAC Name]
3-{[4-(4-Éthyl-4H-1,2,4-triazol-3-yl)-1-pipéridinyl]méthyl}-N,N-diméthyl-1,2,4-thiadiazol-5-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 502.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 68.30
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.68
Polar Surface Area: 91 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

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