1-Allyl-5-(2-Phenylpyrazolo[1,5-A]Pyridin-3-Yl)-1H-Pyrazolo[3,4-C]Pyridazin-3-Amine

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Properties Simple | Detailed

Formula C21H17N7
IUPAC Name 1-allyl-5-(2-phenyl-7h-pyrazolo[1,5-a]pyridin-8-ium-7-ylium-3-yl)-4h-pyrazolo[3,4-c]pyridazin-1-ium-4-id-3-amine
Molecular Mass 367.407 g·mol−1
Heat of Formation 893.8 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 433.98 Å 3
Surface Area 374.43 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-allyl-5-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-3-pyrazolo[5,4-c]pyridazinamine
  • 1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[5,4-c]pyridazin-3-amine
  • 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1-prop-2-enyl-pyrazolo[5,4-c]pyridazin-3-amine
  • [1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrazolo[5,4-c]pyridazin-3-yl]amine
  • fr296110
InChIKey WHPQRPGHYADIAQ-UHFFFAOYSA-N
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