5-(Cyclohexylamino)-7-[(4-Sulfamoylphenyl)Amino]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidin-8-Ium

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Formula C17H22N7O2S+
IUPAC Name 4-[[5-(cyclohexylamino)-1h-[1,2,4]triazolo[5,1-b]pyrimidin-8-ium-7-yl]amino]benzenesulfonamide
Molecular Mass 388.467 g·mol−1
Heat of Formation 86.4 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 435.8 Å 3
Surface Area 386.59 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • dt2
InChIKey RLYYXCZVIPJKQX-UHFFFAOYSA-O
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