Found 1 result

Search term: NTIRTFLRBFAPSX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol | C13H14N8O2

1-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol

  • Molecular FormulaC13H14N8O2
  • Average mass314.303 Da
  • Monoisotopic mass314.123962 Da
  • ChemSpider ID76746090

More details:

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

1-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol [German] [ACD/IUPAC Name]
1-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol [ACD/IUPAC Name]
1-[6-(4-Morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol [French] [ACD/IUPAC Name]
1H-Pyrazol-5-ol, 1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-(1H-1,2,3-triazol-1-yl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 634.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.820
Molar Refractivity: 81.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 81.2±7.0 dyne/cm
Molar Volume: 187.6±7.0 cm3

Click to predict properties on the Chemicalize site


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