magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride

C16H16Cl4MgN6 — CID 158812226

IUPACmagnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride
SMILESCCc1ccc2nc(Cl)cn2n1.Clc1cn2nc(Cl)ccc2n1.[CH2-]C.[Cl-].[Mg+2]
InChIInChI=1S/C8H8ClN3.C6H3Cl2N3.C2H5.ClH.Mg/c1-2-6-3-4-8-10-7(9)5-12(8)11-6;7-4-1-2-6-9-5(8)3-11(6)10-4;1-2;;/h3-5H,2H2,1H3;1-3H;1H2,2H3;1H;/q;;-1;;+2/p-1
InChIKeyVGWUYFLXHBXYLI-UHFFFAOYSA-M
MW458.46 g/mol
LogP1.44
Rot. Bonds1

About magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride

magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride (PubChem CID 158812226) has the molecular formula C16H16Cl4MgN6 and a molecular weight of 458.46 g/mol. Its IUPAC name is magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride.

Molecular Properties

Compound Namemagnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride
PubChem CID158812226
Molecular FormulaC16H16Cl4MgN6
Molecular Weight458.46 g/mol
Exact Mass456.00
IUPAC Namemagnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride
SMILESCCc1ccc2nc(Cl)cn2n1.Clc1cn2nc(Cl)ccc2n1.[CH2-]C.[Cl-].[Mg+2]
InChIInChI=1S/C8H8ClN3.C6H3Cl2N3.C2H5.ClH.Mg/c1-2-6-3-4-8-10-7(9)5-12(8)11-6;7-4-1-2-6-9-5(8)3-11(6)10-4;1-2;;/h3-5H,2H2,1H3;1-3H;1H2,2H3;1H;/q;;-1;;+2/p-1
InChIKeyVGWUYFLXHBXYLI-UHFFFAOYSA-M
XLogP1.44
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;methane;chloride
CID 158195954
2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
CID 159560067
6-chloro-2-ethoxyimidazo[1,2-b]pyridazine
CID 14088205
6-ethyl-2-(trifluoromethoxy)imidazo[1,2-b]pyridazine
CID 70835168
(6-chloroimidazo[1,2-b]pyridazin-2-yl)silane
CID 159781302
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)propan-2-ol
CID 58216650
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
N-[5-(6-ethylimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 162590547
2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazine
CID 10379220
(2-methylimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047300
1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
CID 19769464
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
CID 139488298

Frequently Asked Questions

What is the IUPAC name of magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride?
The IUPAC name of magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride (CID 158812226) is magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride.
What is the SMILES notation for magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride?
The canonical SMILES for magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride is CCc1ccc2nc(Cl)cn2n1.Clc1cn2nc(Cl)ccc2n1.[CH2-]C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride?
The InChIKey is VGWUYFLXHBXYLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClN3.C6H3Cl2N3.C2H5.ClH.Mg/c1-2-6-3-4-8-10-7(9)5-12(8)11-6;7-4-1-2-6-9-5(8)3-11(6)10-4;1-2;;/h3-5H,2H2,1H3;1-3H;1H2,2H3;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride?
magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride has a molecular weight of 458.46 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride is sourced from PubChem (CID 158812226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).