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

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Properties Simple | Detailed

Formula C7H7N5O2
IUPAC Name 1,6-dimethylpyrimido[5,6-e][1,2,4]triazine-5,7-dione
Molecular Mass 193.163 g·mol−1
Heat of Formation 31.4 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 204.58 Å 3
Surface Area 199.9 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,6-dimethyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido(5,4-e)-as-triazine-5,7(1h,6h)-dione
  • 1,6-dimethyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e]-as-triazine-5,7(1h,6h)-dione
  • 1,6-dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(1h,6h)-dione
  • 1,6-dimethylpyrimido(5,4-e)-as-triazine-5,7(1h,6h)-dione
  • 1,6-dimethylpyrimido[5,4-e]-as-triazine-5,7(1h,6h)-dione
  • 1,6-dimethylpyrimido[5,6-e][1,2,4]triazine-5,7-quinone
  • 10204-bii
  • 6,8-dimethylpyrimido(5,4-e)-as-triazine-5,7(6h,8h)-dione
  • 6,8-dimethylpyrimido(5,4-e)-as-triazine-5,7(6h,8h)dione
  • compound 7215
  • pyrimido(5,4-e)-1,2,4-triazine-5,7(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido(5,4-e)-1,2,4-triazine-5,7(6h,8h)-dione, 6,8-dimethyl-
  • pyrimido(5,4-e)-1,2,4-triazine-5,7-(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido(5,4-e)-1,2,4-triazine-5,7-(1h,6h)-dione, 1,6-dimethyl- (9ci)
  • pyrimido(5,4-e)-as-triazine-5,7(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido(5,4-e)-as-triazine-5,7(6h,8h)-dione, 6,8-dimethyl-
  • pyrimido(5,4-e)-as-triazine-5,7-(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido[5,4-e]-1,2,4-triazine-5,7(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido[5,4-e]-as-triazine-5,7(1h,6h)-dione, 1,6-dimethyl-
  • pyrimido[5,4-e]-as-triazine-5,7-(1h,6h)-dione, 1,6-dimethyl-
  • toxoflavin
  • toxoflavine
  • xanthothricin
  • xanthothricin (van)
  • xanthotricin
  • xanthrothricin
CAS Number(s)
  • 84-82-2
InChIKey SLGRAIAQIAUZAQ-UHFFFAOYSA-N
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