3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]Triazin-4-Yl)Amino]-N-Cyclopropyl-4-Methylbenzamide

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Formula C25H23N5O2
IUPAC Name 3-[(6-benzoyl-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methyl-benzamide
Molecular Mass 425.482 g·mol−1
Heat of Formation 247.9 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 509.86 Å 3
Surface Area 444.95 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[6-(benzoyl)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-n-cyclopropyl-4-methyl-benzamide
  • 3-[[6-(benzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-n-cyclopropyl-4-methylbenzamide
  • n-cyclopropyl-4-methyl-3-[[5-methyl-6-(oxo-phenylmethyl)-4-pyrrolo[2,1-f][1,2,4]triazinyl]amino]benzamide
InChIKey CQPNJQRTSADQCI-UHFFFAOYSA-N
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