2-Anilino-4-{[2-(1H-Imidazol-4-Yl)Ethyl]Amino}Pyrazolo[1,5-A][1,3,5]Triazine-8-Carbonitrile

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Properties Simple | Detailed

Formula C17H16N9+
IUPAC Name 2-anilino-4-(2-imidazol-4-ylethylamino)-7h-pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-ylium-8-carbonitrile
Molecular Mass 346.369 g·mol−1
Heat of Formation 738.9 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 399.02 Å 3
Surface Area 373.23 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(3h-imidazol-4-yl)ethylamino]-2-(phenylamino)-8-pyrazolo[5,1-f][1,3,5]triazinecarbonitrile
InChIKey IWUUKHQIKFHWIW-UHFFFAOYSA-N
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Elements H C N