6-Azathymine

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Properties Simple | Detailed

Formula C4H5N3O2
IUPAC Name 6-methyl-2h-1,2,4-triazine-3,5-dione
Molecular Mass 127.101 g·mol−1
Heat of Formation -242.4 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 136.64 Å 3
Surface Area 145.36 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazine-3,5(2h,4h)-dione, 6-methyl-
  • 1,2,4-triazine-3,5(2h,4h)-dione, 6-methyl- (9ci)
  • 3,5-dihydroxy-6-methyl-1,2,4-triazine
  • 5-methyl-6-azauracil
  • 6-methyl-1,2,4-triazine-3,5(2h,4h)-dione
  • 6-methyl-1,2,4-triazine-3,5-diol
  • 6-methyl-1,2,4-triazine-3,5-dione
  • 6-methyl-2h-1,2,4-triazine-3,5-quinone
  • 6-methyl-as-triazine-3,5(2h,4h)-dione
  • 6-methyl-as-triazine-3,5-(2h,4h)-dione
  • 6-methyl-as-triazine-3,5-diol
  • ao-089/25085002
  • as-triazine-3,5(2h,4h)-dione, 6-methyl-
  • azathymine
  • azathymine, 6
  • bpbio1_000381
  • usaf cb-28
CAS Number(s)
  • 16075-91-5
  • 932-53-6
InChIKey XZWMZFQOHTWGQE-UHFFFAOYSA-N
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