N-Isopropyl-3-[(1S)-1-(1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Ethyl][1,2,4]Triazolo[4,3-B]Pyridazin-6-Amine

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Properties Simple | Detailed

Formula C17H19N7
IUPAC Name n-propan-2-yl-3-[(1s)-1-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Molecular Mass 321.380 g·mol−1
Heat of Formation 534.2 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 392.19 Å 3
Surface Area 342.22 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
InChIKey PUIUZHJXBDSQEZ-NSHDSACASA-N
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Elements H C N