9-Methyl-3-(1H-Tetrazol-5-Yl)-4H-Pyrido[1,2-A]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C10H12N6O+
IUPAC Name 9-methyl-3-(2h-tetrazol-5-yl)pyrido[2,1-b]pyrimidin-4-one
Molecular Mass 232.242 g·mol−1
Heat of Formation 353.5 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 244.93 Å 3
Surface Area 234.2 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry Cs
Synonyms
  • 4h-pyrido(1,2-a)pyrimidin-4-one, 9-methyl-3-(1h-tetrazol-5-yl)-
  • 9-methyl-3-(2h-1,2,3,4-tetrazol-5-yl)pyrido[2,1-b]pyrimidin-4-one
  • 9-methyl-3-(2h-tetrazol-5-yl)-4-pyrido[2,1-b]pyrimidinone
  • pemirolast
InChIKey HIANJWSAHKJQTH-UHFFFAOYSA-N
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