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

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Formula C19H14ClN7
IUPAC Name 2-[(4-chlorophenyl)methylamino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Molecular Mass 375.814 g·mol−1
Heat of Formation 3269.0 ± 16.7 kJ·mol−1
Dipole Moment 21.59 ± 1.08 D
Volume 392.53 Å 3
Surface Area 378.54 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -3.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-chlorobenzyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
  • 2-[(4-chlorophenyl)methylamino]-4-(phenylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile
  • 2-[(4-chlorophenyl)methylamino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
InChIKey QCVULERVJOYHCP-UHFFFAOYSA-N
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Elements C Cl N