N-[2-Cyano-3-(4-Methyl-1-Piperazinyl)Phenyl]-2H-Tetrazole-5-Carboxamide

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Properties Simple | Detailed

Formula C14H16N8O
IUPAC Name n-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-2h-tetrazole-5-carboxamide
Molecular Mass 312.330 g·mol−1
Heat of Formation 463.3 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 359.71 Å 3
Surface Area 323.54 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-tetrazole-5-carboxamide, n-(2-cyano-3-(4-methyl-1-piperazinyl)phenyl)-
  • mpip-cptc
  • n-(3-(4-methylpiperazin-1-yl)-2-cyanophenyl)-1h-tetrazole-5-carboxamide
  • n-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-2h-1,2,3,4-tetrazole-5-carboxamide
CAS Number(s)
  • 77245-43-3
InChIKey GDYLQARLBJMOTI-UHFFFAOYSA-N
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