ChemSpider 2D Image | 1-[4-Methyl-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine | C14H23N7S

1-[4-Methyl-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64509074

More details:






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

1-[4-Methyl-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin [German] [ACD/IUPAC Name]
1-[4-Methyl-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine [ACD/IUPAC Name]
1-[4-Méthyl-5-(2-méthyl-2-propanyl)-4H-1,2,4-triazol-3-yl]-4-(3-méthyl-1,2,4-thiadiazol-5-yl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[5-(1,1-dimethylethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-thiadiazol-5-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 102.34
Polar Surface Area: 91 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 239.2±7.0 cm3

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