5-Isopropyl-6-(5-Methyl-1,3,4-Oxadiazol-2-Yl)-N-(2-Methyl-1H-Pyrrolo[2,3-B]Pyridin-5-Yl)Pyrrolo[2,1-F][1,2,4]Triazin-4-Amine

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Properties Simple | Detailed

Formula C20H20N8O
IUPAC Name 7-isopropyl-8-(5-methyl-1,3,4-oxadiazol-2-yl)-n-(2-methylpyrrolo[2,3-b]pyridin-1-ium-5-yl)-4-aza-1-azonia-2-azanidabicyclo[4.3.0]nona-1(9),3,5,7-tetraen-5-amine
Molecular Mass 388.426 g·mol−1
Heat of Formation 489.5 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 443.08 Å 3
Surface Area 397.48 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-(2-methyl-1h-pyrrolo[3,2-e]pyridin-5-yl)-4-pyrrolo[2,1-f][1,2,4]triazinamine
  • 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-(2-methyl-1h-pyrrolo[3,2-e]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
  • 6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-(2-methyl-1h-pyrrolo[3,2-e]pyridin-5-yl)-5-propan-2-yl-pyrrolo[2,1-f][1,2,4]triazin-4-amine
  • 6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-(2-methyl-1h-pyrrolo[3,2-e]pyridin-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
  • [5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-(2-methyl-1h-pyrrolo[3,2-e]pyridin-5-yl)amine
InChIKey OOQXPATWSOGSAV-UHFFFAOYSA-N
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