Vipadenant

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Properties Simple | Detailed

Formula C16H15N7O
IUPAC Name 7-[(4-amino-3-methyl-phenyl)methyl]-2-(2-furyl)-3,5,9-triaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-4-amine
Molecular Mass 321.337 g·mol−1
Heat of Formation 459.9 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 372.17 Å 3
Surface Area 328.53 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4-amino-3-methyl-phenyl)methyl]-7-(2-furyl)triazolo[5,4-d]pyrimidin-5-amine
  • 3-[(4-amino-3-methyl-phenyl)methyl]-7-furan-2-yl-[1,2,3]triazolo[5,4-d]pyrimidin-5-amine
  • 3-[(4-amino-3-methylphenyl)methyl]-7-(2-furyl)-5-triazolo[5,4-d]pyrimidinamine
  • [4-[[5-amino-7-(2-furyl)triazolo[5,4-d]pyrimidin-3-yl]methyl]-2-methyl-phenyl]amine
InChIKey HQSBCDPYXDGTCL-UHFFFAOYSA-N
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