2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane

C17H21Cl2N7O2S — CID 159560067

IUPAC2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
SMILESC.CCc1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CCc1ccc2nc(Cl)cn2n1
InChIInChI=1S/C8H9ClN4O2S.C8H8ClN3.CH4/c1-2-5-3-4-6-11-7(9)8(13(6)12-5)16(10,14)15;1-2-6-3-4-8-10-7(9)5-12(8)11-6;/h3-4H,2H2,1H3,(H2,10,14,15);3-5H,2H2,1H3;1H4
InChIKeyMGMJNPCLUOKEOZ-UHFFFAOYSA-N
MW458.38 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane

2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane (PubChem CID 159560067) has the molecular formula C17H21Cl2N7O2S and a molecular weight of 458.38 g/mol. Its IUPAC name is 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane.

Molecular Properties

Compound Name2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
PubChem CID159560067
Molecular FormulaC17H21Cl2N7O2S
Molecular Weight458.38 g/mol
Exact Mass457.09
IUPAC Name2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
SMILESC.CCc1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CCc1ccc2nc(Cl)cn2n1
InChIInChI=1S/C8H9ClN4O2S.C8H8ClN3.CH4/c1-2-5-3-4-6-11-7(9)8(13(6)12-5)16(10,14)15;1-2-6-3-4-8-10-7(9)5-12(8)11-6;/h3-4H,2H2,1H3,(H2,10,14,15);3-5H,2H2,1H3;1H4
InChIKeyMGMJNPCLUOKEOZ-UHFFFAOYSA-N
XLogP3.17
TPSA120.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-propan-2-ylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
CID 159691686
6-ethyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67265921
magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;methane;chloride
CID 158195954
magnesium;2-chloro-6-ethylimidazo[1,2-b]pyridazine;2,6-dichloroimidazo[1,2-b]pyridazine;ethane;chloride
CID 158812226
2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide
CID 159657109
1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
CID 19769464
6-ethyl-2-(trifluoromethoxy)imidazo[1,2-b]pyridazine
CID 70835168
6-ethylimidazo[1,2-b]pyridazine-3-sulfonothioamide
CID 141164875
6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136866
2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
CID 87330897
6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
CID 23028150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The IUPAC name of 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane (CID 159560067) is 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane.
What is the SMILES notation for 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The canonical SMILES for 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane is C.CCc1ccc2nc(Cl)c(S(N)(=O)=O)n2n1.CCc1ccc2nc(Cl)cn2n1.
What is the InChIKey of 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
The InChIKey is MGMJNPCLUOKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S.C8H8ClN3.CH4/c1-2-5-3-4-6-11-7(9)8(13(6)12-5)16(10,14)15;1-2-6-3-4-8-10-7(9)5-12(8)11-6;/h3-4H,2H2,1H3,(H2,10,14,15);3-5H,2H2,1H3;1H4.
What are the key properties of 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane?
2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane has a molecular weight of 458.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane is sourced from PubChem (CID 159560067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).