ChemSpider 2D Image | 3-(Hydroxymethyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C7H8N4O2

3-(Hydroxymethyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC7H8N4O2
  • Average mass180.164 Da
  • Monoisotopic mass180.064728 Da
  • ChemSpider ID24598060

More details:






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

3-(Hydroxymethyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-(Hydroxymethyl)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
3-(Hydroxyméthyl)-1-méthyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-3-(hydroxymethyl)-1-methyl- [ACD/Index Name]
1260656-84-5 [RN]
3-(hydroxymethyl)-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
3-(hydroxymethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
3-(hydroxymethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
https://mcule.com/MCULE-5964169068
MFCD11109908

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

Density: 1.7±0.1 g/cm3
Boiling Point: 553.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.8±27.3 °C
Index of Refraction: 1.769
Molar Refractivity: 44.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.60
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 80 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 106.8±7.0 cm3

Click to predict properties on the Chemicalize site






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