3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid

C10H11N3O3 — CID 84686502

IUPAC3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid
SMILESCOc1ccc2ncc(CCC(=O)O)n2n1
InChIInChI=1S/C10H11N3O3/c1-16-9-4-3-8-11-6-7(13(8)12-9)2-5-10(14)15/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyDAQFQZSAPOBVAZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.76
Rot. Bonds4

About 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid

3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid (PubChem CID 84686502) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid
PubChem CID84686502
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid
SMILESCOc1ccc2ncc(CCC(=O)O)n2n1
InChIInChI=1S/C10H11N3O3/c1-16-9-4-3-8-11-6-7(13(8)12-9)2-5-10(14)15/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyDAQFQZSAPOBVAZ-UHFFFAOYSA-N
XLogP0.76
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid (CID 84686502) is 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid is COc1ccc2ncc(CCC(=O)O)n2n1.
What is the InChIKey of 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid?
The InChIKey is DAQFQZSAPOBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-9-4-3-8-11-6-7(13(8)12-9)2-5-10(14)15/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid?
3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid has a molecular weight of 221.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid is sourced from PubChem (CID 84686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).