RefChem:1083091

2,4-dimethyl-1-(5-nitrofuran-2-yl)-1,2,4-triazol-4-ium-3-imine iodide

Also Known As: KST-1A7178|(3e)-3-imino-2,4-dimethyl-1-(5-nitrofuran-2-yl)-2,3-dihydro-1h-1,2,4-triazol-4-ium iodide|1,4-Dimethyl-5-imino-2-(5-nitro-2-furyl)-delta(sup 2)-1,2,4-triazoline hydroiodide|1H-1,2,4-Triazolium, 4,5-dihydro-5-imino-1,4-dimethyl-2-(5-nitro-2-furanyl)-, iodide|delta(sup 2)-1,2,4-Triazoline, 1,4-dimethyl-5-imino-2-(5-nitro-2-furyl)-, hydroiodide|2,4-dimethyl-1-(5-nitrofuran-2-yl)-1,2,4-triazol-4-ium-3-imine iodide|3-Imino-2,4-dimethyl-1-(5-nitrofuran-2-yl)-2,3-dihydro-1H-1,2,4-triazol-4-ium iodide

Molecular Formula	C8H10IN5O3
Molecular Weight	350.98285 g/mol
LogP	-3.38
Topological Polar Surface Area	93.87 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	350.98285
Heavy Atoms	17
Complexity	610.9

Chemical Identifiers

CAS Number	64039-46-9
SMILES	CN1C(=N)[N+](=CN1C2=CC=C(O2)[N+](=O)[O-])C.[I-]