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

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Properties Simple | Detailed

Formula C19H21N7
IUPAC Name 4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Molecular Mass 347.417 g·mol−1
Heat of Formation 511.0 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 419.27 Å 3
Surface Area 385.51 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(cyclohexylmethylamino)-4-(phenylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile
InChIKey NCVMTHVSAJMOPI-UHFFFAOYSA-N
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Elements H C N