1-Methyl-1H-[1,2,3]Triazolo[4,5-D]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C5H6N6
IUPAC Name 9-methyl-3,5,7-triaza-9-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-2-amine
Molecular Mass 150.141 g·mol−1
Heat of Formation 428.6 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 165.86 Å 3
Surface Area 167.2 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry Cs
Synonyms
  • (1-methyltriazolo[5,4-e]pyrimidin-7-yl)amine
  • 1-methyl-7-triazolo[5,4-e]pyrimidinamine
  • 1-methyl-[1,2,3]triazolo[5,4-e]pyrimidin-7-amine
  • 1-methyltriazolo[5,4-e]pyrimidin-7-amine
  • 1h-1,2,3-triazolo(4,5-d)pyrimidin-7-amine, 1-methyl-
  • 6-amino-7-methyl-8-azapurine
  • 7-methyl-8-azaadenine
CAS Number(s)
  • 17801-64-8
InChIKey BFFSYTDZBBOZFW-UHFFFAOYSA-N
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Elements H C N