ChemSpider 2D Image | {1-[4-(1-Methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-piperidinyl}(1-piperidinyl)methanone | C18H25N7O

{1-[4-(1-Methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-piperidinyl}(1-piperidinyl)methanone

  • Molecular FormulaC18H25N7O
  • Average mass355.437 Da
  • Monoisotopic mass355.212067 Da
  • ChemSpider ID22524471

More details:

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

{1-[4-(1-Methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-piperidinyl}(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
{1-[4-(1-Methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-piperidinyl}(1-piperidinyl)methanone [ACD/IUPAC Name]
{1-[4-(1-Méthyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-pipéridinyl}(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-4-piperidinyl]-1-piperidinyl- [ACD/Index Name]
4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]pyrimidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 638.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.6±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.24
ACD/KOC (pH 5.5): 380.23
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.27
ACD/KOC (pH 7.4): 380.56
Polar Surface Area: 80 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 255.9±7.0 cm3

Click to predict properties on the Chemicalize site


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