4-Anilino-2-(4-Ethyl-1-Piperazinyl)Pyrazolo[1,5-A][1,3,5]Triazine-8-Carbonitrile

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Properties Simple | Detailed

Formula C18H20N8
IUPAC Name 4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Molecular Mass 348.405 g·mol−1
Heat of Formation 615.8 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 415.56 Å 3
Surface Area 371.96 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-ethyl-1-piperazinyl)-4-(phenylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile
InChIKey BIFHJPUTQBOBGJ-UHFFFAOYSA-N
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Elements H C N