2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid

C13H15N3O3 — CID 116854629

IUPAC2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid
SMILESO=C(O)Cc1cnc2ccc(C3CCOCC3)nn12
InChIInChI=1S/C13H15N3O3/c17-13(18)7-10-8-14-12-2-1-11(15-16(10)12)9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18)
InChIKeyDSBNQWOCWVPDRS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds3

About 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid

2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid (PubChem CID 116854629) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid
PubChem CID116854629
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid
SMILESO=C(O)Cc1cnc2ccc(C3CCOCC3)nn12
InChIInChI=1S/C13H15N3O3/c17-13(18)7-10-8-14-12-2-1-11(15-16(10)12)9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18)
InChIKeyDSBNQWOCWVPDRS-UHFFFAOYSA-N
XLogP1.25
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854380
2-(6-cyclopentylimidazo[1,2-b]pyridazin-3-yl)ethanamine
CID 116854597
[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine
CID 116854561
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971401
3-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)propanoic acid
CID 84686502
[6-(oxan-4-yl)-3-pyridinyl]methanol
CID 177179398
[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
CID 156518758
3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
CID 139343513
2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 104752238
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839

Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid?
The IUPAC name of 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid (CID 116854629) is 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid is O=C(O)Cc1cnc2ccc(C3CCOCC3)nn12.
What is the InChIKey of 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid?
The InChIKey is DSBNQWOCWVPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(18)7-10-8-14-12-2-1-11(15-16(10)12)9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18).
What are the key properties of 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid?
2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid is sourced from PubChem (CID 116854629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).