(1S)-1-(8-Amino[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)-1,4-Anhydro-D-Ribitol

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Formula C10H13N5O4
IUPAC Name (2s,3r,4s,5r)-2-(5-amino-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 267.241 g·mol−1
Heat of Formation -344.3 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 281.24 Å 3
Surface Area 258.91 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey QOSQHGYADFEZBR-WCTZXXKLSA-N
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