1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone

C8H6ClN3O — CID 13248805

IUPAC1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C8H6ClN3O/c1-5(13)6-4-10-8-3-2-7(9)11-12(6)8/h2-4H,1H3
InChIKeyODNBVEIAQAZNNM-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.59
Rot. Bonds1

About 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone

1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (PubChem CID 13248805) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone
PubChem CID13248805
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(Cl)nn12
InChIInChI=1S/C8H6ClN3O/c1-5(13)6-4-10-8-3-2-7(9)11-12(6)8/h2-4H,1H3
InChIKeyODNBVEIAQAZNNM-UHFFFAOYSA-N
XLogP1.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The IUPAC name of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CID 13248805) is 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The canonical SMILES for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is CC(=O)c1cnc2ccc(Cl)nn12.
What is the InChIKey of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone?
The InChIKey is ODNBVEIAQAZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-5(13)6-4-10-8-3-2-7(9)11-12(6)8/h2-4H,1H3.
What are the key properties of 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone?
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone has a molecular weight of 195.61 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is sourced from PubChem (CID 13248805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).