5-Azacytosine

Molecule SVG Image

Properties Simple | Detailed

Formula C3H4N4O
IUPAC Name 6-amino-1h-1,3,5-triazin-2-one
Molecular Mass 112.090 g·mol−1
Heat of Formation -34.9 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 120.25 Å 3
Surface Area 132.14 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-amino-
  • 2-amino-4-hydroxy-sym-triazine
  • 4-amino-1,3,5-triazin-2(1h)-one
  • 4-amino-1,3,5-triazin-2-one
  • 4-amino-3h-s-triazin-2-one
  • 4-amino-s-triazin-2-ol
  • s-triazin-2(1h)-one, 4-amino-
  • s-triazin-2-ol, 4-amino-
CAS Number(s)
  • 931-86-2
  • 4040-10-2
InChIKey MFEFTTYGMZOIKO-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N