3-(3-Amino-1,2,4-Oxadiazol-5-Yl)-5-Chloro-2,6-Pyrazinediamine

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Properties Simple | Detailed

Formula C6H6ClN7O
IUPAC Name 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-pyrazine-2,6-diamine
Molecular Mass 227.611 g·mol−1
Heat of Formation 244.7 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 222.16 Å 3
Surface Area 222.34 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-pyrazinediamine, 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-
  • 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloropyrazine-2,6-diamine
  • 3-amino-5-(3,5-diamino-6-chloropyrazin-2-yl)-1,2,4-oxadiazole
  • [6-amino-3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-pyrazin-2-yl]amine
  • cgs 4270
  • cgs-4270
CAS Number(s)
  • 73631-29-5
InChIKey GJLPISUGPIFCFQ-UHFFFAOYSA-N
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Elements H C N O Cl