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

3-{[4-(5-Ethyl-1H-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 ID64713251

More details:

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

1,2,4-Thiadiazol-5-amine, 3-[[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl]-N,N-dimethyl- [ACD/Index Name]
3-{[4-(5-Ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amin [German] [ACD/IUPAC Name]
3-{[4-(5-Ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methyl}-N,N-dimethyl-1,2,4-thiadiazol-5-amine [ACD/IUPAC Name]
3-{[4-(5-Éthyl-1H-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 525.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 89.13
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 101.00
Polar Surface Area: 102 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

Click to predict properties on the Chemicalize site


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