ChemSpider 2D Image | 6-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1H-purine | C17H20N10

6-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1H-purine

  • Molecular FormulaC17H20N10
  • Average mass364.408 Da
  • Monoisotopic mass364.187256 Da
  • ChemSpider ID29500505

More details:

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

6-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1H-purin [German] [ACD/IUPAC Name]
6-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1H-purine [ACD/IUPAC Name]
6-{3-[4-Méthyl-5-(1H-pyrazol-1-ylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}-1H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-[3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
6-{3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-9H-purine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 741.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.0±35.7 °C
Index of Refraction: 1.842
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 108.74
Polar Surface Area: 106 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 74.4±7.0 dyne/cm
Molar Volume: 228.1±7.0 cm3

Click to predict properties on the Chemicalize site


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