2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide

C18H23N7O2S — CID 159657109

IUPAC2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCc1cn2nc(C)ccc2n1.CCc1nc2ccc(C)nn2c1S(N)(=O)=O
InChIInChI=1S/C9H12N4O2S.C9H11N3/c1-3-7-9(16(10,14)15)13-8(11-7)5-4-6(2)12-13;1-3-8-6-12-9(10-8)5-4-7(2)11-12/h4-5H,3H2,1-2H3,(H2,10,14,15);4-6H,3H2,1-2H3
InChIKeyMSHWYKCYNMHSLF-UHFFFAOYSA-N
MW401.50 g/mol
LogP1.85
Rot. Bonds3

About 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide

2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 159657109) has the molecular formula C18H23N7O2S and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide
PubChem CID159657109
Molecular FormulaC18H23N7O2S
Molecular Weight401.50 g/mol
Exact Mass401.16
IUPAC Name2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCc1cn2nc(C)ccc2n1.CCc1nc2ccc(C)nn2c1S(N)(=O)=O
InChIInChI=1S/C9H12N4O2S.C9H11N3/c1-3-7-9(16(10,14)15)13-8(11-7)5-4-6(2)12-13;1-3-8-6-12-9(10-8)5-4-7(2)11-12/h4-5H,3H2,1-2H3,(H2,10,14,15);4-6H,3H2,1-2H3
InChIKeyMSHWYKCYNMHSLF-UHFFFAOYSA-N
XLogP1.85
TPSA120.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-6-methylimidazo[1,2-b]pyridazine;methane;6-methylpyridazin-3-amine
CID 158149081
2-chloro-6-ethylimidazo[1,2-b]pyridazine;2-chloro-6-ethylimidazo[1,2-b]pyridazine-3-sulfonamide;methane
CID 159560067
6-ethyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67265921
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
2-fluoro-6-methylimidazo[1,2-b]pyridazine
CID 70222465
6-ethoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-sulfonamide
CID 23028150
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
3-(3,4-diethylphenyl)-2,6-dimethylimidazo[1,2-b]pyridazine
CID 135217296
2-(3-bromo-6-methylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821758
2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
CID 87330897
(2-methylimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047300

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide (CID 159657109) is 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide is CCc1cn2nc(C)ccc2n1.CCc1nc2ccc(C)nn2c1S(N)(=O)=O.
What is the InChIKey of 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is MSHWYKCYNMHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S.C9H11N3/c1-3-7-9(16(10,14)15)13-8(11-7)5-4-6(2)12-13;1-3-8-6-12-9(10-8)5-4-7(2)11-12/h4-5H,3H2,1-2H3,(H2,10,14,15);4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide?
2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 401.50 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylimidazo[1,2-b]pyridazine;2-ethyl-6-methylimidazo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 159657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).