ChemSpider 2D Image | N~3~-(4,6-Dimethyl-2-pyrimidinyl)-N-(3-isopropyl-1H-1,2,4-triazol-5-yl)-beta-alaninamide | C14H21N7O

N3-(4,6-Dimethyl-2-pyrimidinyl)-N-(3-isopropyl-1H-1,2,4-triazol-5-yl)-β-alaninamide

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29342920

More details:






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

N3-(4,6-Dimethyl-2-pyrimidinyl)-N-(3-isopropyl-1H-1,2,4-triazol-5-yl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-(4,6-Dimethyl-2-pyrimidinyl)-N-(3-isopropyl-1H-1,2,4-triazol-5-yl)-β-alaninamide [ACD/IUPAC Name]
N3-(4,6-Diméthyl-2-pyrimidinyl)-N-(3-isopropyl-1H-1,2,4-triazol-5-yl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-[3-(1-methylethyl)-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]
1401593-05-2 [RN]
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
N3-(4,6-dimethylpyrimidin-2-yl)-N-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-β-alaninamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 141.61
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.02
ACD/KOC (pH 7.4): 167.80
Polar Surface Area: 108 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 236.7±3.0 cm3

Click to predict properties on the Chemicalize site






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