6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid

C11H11N3O2 — CID 116854380

IUPAC6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C3CCC3)nn12
InChIInChI=1S/C11H11N3O2/c15-11(16)9-6-12-10-5-4-8(13-14(9)10)7-2-1-3-7/h4-7H,1-3H2,(H,15,16)
InChIKeyUPYMDKKURZDRQO-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.70
Rot. Bonds2

About 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid

6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 116854380) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID116854380
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(C3CCC3)nn12
InChIInChI=1S/C11H11N3O2/c15-11(16)9-6-12-10-5-4-8(13-14(9)10)7-2-1-3-7/h4-7H,1-3H2,(H,15,16)
InChIKeyUPYMDKKURZDRQO-UHFFFAOYSA-N
XLogP1.70
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854345
2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid
CID 116854629
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
2-(6-cyclopentylimidazo[1,2-b]pyridazin-3-yl)ethanamine
CID 116854597
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519
6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 167811450
6-cyclobutylpyridazine-3-carboxylic acid
CID 171323003
6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854355
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
CID 139343513
2-cyclopentyl-3-methylimidazole-4-carboxylic acid
CID 82375323

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid (CID 116854380) is 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2ccc(C3CCC3)nn12.
What is the InChIKey of 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is UPYMDKKURZDRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)9-6-12-10-5-4-8(13-14(9)10)7-2-1-3-7/h4-7H,1-3H2,(H,15,16).
What are the key properties of 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid?
6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 116854380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).