N-(1H-Indazol-5-Yl)-N'-[2-(1H-Indol-3-Yl)Ethyl]-6-Methoxy-1,3,5-Triazine-2,4-Diamine

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Properties Simple | Detailed

Formula C21H20N8O
IUPAC Name n4-(3h-indazol-1-ium-3-ylium-5-yl)-n2-[2-(2h-indol-1-ium-2-ylium-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
Molecular Mass 400.437 g·mol−1
Heat of Formation 453.9 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 461.42 Å 3
Surface Area 418.75 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1h-5-indazolyl)amino-4-(2-(1h-3-indolyl)ethyl)amino-6-methoxy-1,3,5-triazine
  • [4-(1h-indazol-5-ylamino)-6-methoxy-s-triazin-2-yl]-[2-(1h-indol-3-yl)ethyl]amine
InChIKey NSJQROISOSHTBB-UHFFFAOYSA-N
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