2,6,8-Trimethyl-2,8-Dihydropyrimido[5,4-E][1,2,4]Triazine-3,5,7(6H)-Trione

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Formula C8H9N5O3
IUPAC Name 2,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Molecular Mass 223.189 g·mol−1
Heat of Formation -207.0 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 236.89 Å 3
Surface Area 225.57 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6,8-trimethylpyrimido[5,6-e][1,2,4]triazine-3,5,7-trione
  • 2,8-dihydro-2,6,8-trimethylpyrimido(5,4-e)-as-triazine-3,5,7-trione
  • 2-methylfervenulone
  • msd-92
  • pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6h)-trione, 2,8-dihydro-2,6,8-trimethyl- (9ci)-
  • pyrimido(5,4-e)-as-triazine-3,5,7(6h)-trione, 2,8-dihydro-2,6,8-trimethyl-
CAS Number(s)
  • 22712-32-9
InChIKey NLCDJWLDGSBUOQ-UHFFFAOYSA-N
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