3-(2-Furylmethyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C9H8N6O
IUPAC Name 7-(2-furylmethyl)-3,5,9-triaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-2-amine
Molecular Mass 216.199 g·mol−1
Heat of Formation 385.8 ± 16.7 kJ·mol−1
Dipole Moment 0.93 ± 1.08 D
Volume 238.71 Å 3
Surface Area 227.09 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-furanylmethyl)-3h-1,2,3-triazolo(4,5-d)pyrimidin-7-amine
  • 3-(2-furylmethyl)-7-triazolo[4,5-e]pyrimidinamine
  • 3-(2-furylmethyl)triazolo[4,5-e]pyrimidin-7-amine
  • 3-(furan-2-ylmethyl)-[1,2,3]triazolo[4,5-e]pyrimidin-7-amine
  • 3-(furan-2-ylmethyl)triazolo[4,5-e]pyrimidin-7-amine
  • 8-aza-9-furfuryladenine
  • [3-(2-furylmethyl)triazolo[4,5-e]pyrimidin-7-yl]amine
  • sq 4665
  • sq-4665
CAS Number(s)
  • 56046-35-6
InChIKey KJMJIWVGWUIWNO-UHFFFAOYSA-N
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