2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one

C12H14N4O2 — CID 82384508

IUPAC2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one
SMILESCOc1cnc2ccc(C3CC(=O)CCN3)nn12
InChIInChI=1S/C12H14N4O2/c1-18-12-7-14-11-3-2-9(15-16(11)12)10-6-8(17)4-5-13-10/h2-3,7,10,13H,4-6H2,1H3
InChIKeyDTPFKYJKXNLJSS-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.73
Rot. Bonds2

About 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one

2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one (PubChem CID 82384508) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one
PubChem CID82384508
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one
SMILESCOc1cnc2ccc(C3CC(=O)CCN3)nn12
InChIInChI=1S/C12H14N4O2/c1-18-12-7-14-11-3-2-9(15-16(11)12)10-6-8(17)4-5-13-10/h2-3,7,10,13H,4-6H2,1H3
InChIKeyDTPFKYJKXNLJSS-UHFFFAOYSA-N
XLogP0.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one?
The IUPAC name of 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one (CID 82384508) is 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one.
What is the SMILES notation for 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one?
The canonical SMILES for 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one is COc1cnc2ccc(C3CC(=O)CCN3)nn12.
What is the InChIKey of 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one?
The InChIKey is DTPFKYJKXNLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12-7-14-11-3-2-9(15-16(11)12)10-6-8(17)4-5-13-10/h2-3,7,10,13H,4-6H2,1H3.
What are the key properties of 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one?
2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one is sourced from PubChem (CID 82384508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).