5-Amino-8-(2-Ethoxyethyl)-7-Phenyl-3H-[1,2,4]Triazolo[1,5-C]Pyrimidin-4-Ium

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Properties Simple | Detailed

Formula C15H18N5O
IUPAC Name 8-(2-ethoxyethyl)-7-phenyl-3h-[1,2,4]triazolo[5,1-f]pyrimidin-4-ium-5-amine
Molecular Mass 284.336 g·mol−1
Heat of Formation 232.2 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 347.21 Å 3
Surface Area 292.37 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • [8-(2-ethoxyethyl)-7-phenyl-3h-[1,2,4]triazolo[5,1-f]pyrimidin-4-ium-5-yl]amine
InChIKey VRFFPDZKMVDPOC-UHFFFAOYSA-O
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