5-Amino-1,2,4-Triazin-3(2H)-One

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Properties Simple | Detailed

Formula C3H4N4O+
IUPAC Name 5-amino-2h-1,2,4-triazin-3-one
Molecular Mass 112.090 g·mol−1
Heat of Formation 38.6 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 119.56 Å 3
Surface Area 132.07 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazin-3(2h)-one, 5-amino-
  • 6-azacytosine
CAS Number(s)
  • 931-85-1
InChIKey SVXNJCYYMRMXNM-UHFFFAOYSA-N
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DOI
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