3-({[4-Methyl-5-(4-Pyridinyl)-4H-1,2,4-Triazol-3-Yl]Methyl}Amino)-N-[2-(Trifluoromethyl)Benzyl]Benzamide

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Properties Simple | Detailed

Formula C24H21F3N6O
IUPAC Name 3-[[4-methyl-5-(4-pyridyl)-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-3-yl]methylamino]-n-[[2-(trifluoromethyl)phenyl]methyl]benzamide
Molecular Mass 466.458 g·mol−1
Heat of Formation -272.4 ± 16.7 kJ·mol−1
Dipole Moment 10.88 ± 1.08 D
Volume 524.92 Å 3
Surface Area 456.48 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-n-[[2-(trifluoromethyl)phenyl]methyl]benzamide
  • 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]methylamino]-n-[2-(trifluoromethyl)benzyl]benzamide
  • 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]methylamino]-n-[[2-(trifluoromethyl)phenyl]methyl]benzamide
InChIKey WFOVEDJTASPCIR-UHFFFAOYSA-N
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