ChemSpider 2D Image | 3-({5-[(4-Amino-4-methyl-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol | C19H23BrN6O

3-({5-[(4-Amino-4-methyl-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol

  • Molecular FormulaC19H23BrN6O
  • Average mass431.329 Da
  • Monoisotopic mass430.111664 Da
  • ChemSpider ID35034858

More details:

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

3-({5-[(4-Amino-4-methyl-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol [ACD/IUPAC Name]
3-({5-[(4-Amino-4-méthyl-1-pipéridinyl)méthyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophénol [French] [ACD/IUPAC Name]
3-({5-[(4-Amino-4-methyl-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromphenol [German] [ACD/IUPAC Name]
3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
Phenol, 3-[[5-[(4-amino-4-methyl-1-piperidinyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-bromo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 92 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 271.1±7.0 cm3

Click to predict properties on the Chemicalize site


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