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Search term: FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine | C18H19F3N6O

N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine

  • Molecular FormulaC18H19F3N6O
  • Average mass392.378 Da
  • Monoisotopic mass392.157257 Da
  • ChemSpider ID28497205

More details:

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

N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]- [ACD/Index Name]
E46
N-(4-Piperidinylmethyl)-3-[3-(trifluormethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amin [German] [ACD/IUPAC Name]
N-(4-Piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine [ACD/IUPAC Name]
N-(4-Pipéridinylméthyl)-3-[3-(trifluorométhoxy)phényl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 526.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 272.0±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 77 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

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