6-Azauracil

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Properties Simple | Detailed

Formula C3H3N3O2
IUPAC Name 2h-1,2,4-triazine-3,5-dione
Molecular Mass 113.075 g·mol−1
Heat of Formation -205.0 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 115.55 Å 3
Surface Area 127.23 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazine-3,5(2h,4h)-dione
  • 1,2,4-triazine-3,5-diol
  • 2h-1,2,4-triazine-3,5-quinone
  • 3,5-dihydroxy-1,2,4-triazine
  • 4(6)-azauracil
  • 6-aza-2,4-dihydroxypyrimidine
  • ac-907/34115002
  • as-triazine-3,5(2h,4h)-dione
  • as-triazine-3,5(2h,4h)-dione (8ci)
  • as-triazine-3,5-diol
  • azauracil
  • azu
  • ipo 3834
  • usaf cb-30
CAS Number(s)
  • 19241-95-3
  • 31952-63-3
  • 461-89-2
InChIKey SSPYSWLZOPCOLO-UHFFFAOYSA-N
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