N-Propyl-N-[2-(5H-[1,2,4]Triazino[5,6-B]Indol-3-Ylsulfanyl)Ethyl]-1-Propanamine

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Properties Simple | Detailed

Formula C17H23N5S
IUPAC Name n-propyl-n-[2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine
Molecular Mass 329.463 g·mol−1
Heat of Formation 334.7 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 409.31 Å 3
Surface Area 376.05 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2-dipropylaminoethyl)thio]-5h-1,2,4-triazino[5,6-b]indole
  • dipropyl-[2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]amine
  • n-propyl-n-[2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]propan-1-amine
  • n-propyl-n-[2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]propan-1-amine
  • oprea1_466828
  • triazinoindole derivative
  • vp-32947
  • vp32947
InChIKey DFCUTQPMJQXNLQ-UHFFFAOYSA-N
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