5-(Aminomethyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C3H6N4O
IUPAC Name 5-(aminomethyl)-1,2-dihydro-1,2,4-triazol-3-one
Molecular Mass 114.106 g·mol−1
Heat of Formation 220.1 ± 16.7 kJ·mol−1
Dipole Moment 17.39 ± 1.08 D
Volume 127.01 Å 3
Surface Area 139.82 Å 2
HOMO Energy -7.30 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-1,2,4-triazol-3-one, 5-(aminomethyl)-1,2-dihydro-
  • 5-aminomethyl-1,2,4-triazol-3-one
CAS Number(s)
  • 83160-78-5
InChIKey OSAGTWDZBBHEAO-UHFFFAOYSA-N
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