2-Butyl-9-Methyl-8-(2H-1,2,3-Triazol-2-Yl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C12H16N8
IUPAC Name 2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
Molecular Mass 272.309 g·mol−1
Heat of Formation 519.7 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 322.28 Å 3
Surface Area 306.92 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-9-methyl-8-(1,2,3-triazol-2-yl)purin-6-amine
  • 2-butyl-9-methyl-8-(2-triazolyl)-6-purinamine
  • 2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
  • [2-butyl-9-methyl-8-(triazol-2-yl)purin-6-yl]amine
InChIKey CYYQMAWUIRPCNW-UHFFFAOYSA-N
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Elements H C N