6-Methylpyrimido[5,4-E][1,2,4]Triazine-5,7(1H,6H)-Dione

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Properties Simple | Detailed

Formula C6H5N5O2++
IUPAC Name 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular Mass 179.136 g·mol−1
Heat of Formation -26.8 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 184.36 Å 3
Surface Area 182.18 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-demethyltoxoflavine
  • 6-methyl-8h-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
  • 6-methyl-8h-pyrimido[5,6-e][1,2,4]triazine-5,7-dione
  • 6-methyl-8h-pyrimido[5,6-e][1,2,4]triazine-5,7-quinone
  • 6-methylpyrimido(5,4-e)-as-triazine-5,7(1h,6h)-dione
  • ba 51-090492
  • bas 00297748
  • pyrimido(5,4-e)-as-triazine-5,7(1h,6h)-dione, 6-methyl-
  • pyrimido(5,4-e)-as-triazine-5,7(6h,8h)-dione, 6-methyl-
  • pyrimido[5,4-e]-as-triazine-5,7(6h,8h)-dione, 6-methyl-
  • reumitsin
  • reumycin
  • rheumygin
CAS Number(s)
  • 5016-18-2
InChIKey ZLLAXLPOOMLVRF-UHFFFAOYSA-N
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