1,6-Dimethyl-3-Propyl-1H-Pyrimido[5,4-E][1,2,4]Triazine-5,7-Dione

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Formula C10H13N5O2
IUPAC Name 1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular Mass 235.243 g·mol−1
Heat of Formation -49.1 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 268.85 Å 3
Surface Area 258.73 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,6-dimethyl-3-propyl-pyrimido[5,6-e][1,2,4]triazine-5,7-dione
  • 1,6-dimethyl-3-propyl-pyrimido[5,6-e][1,2,4]triazine-5,7-quinone
  • bas 13029470
InChIKey LKBYYUZEKINDPS-UHFFFAOYSA-N
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