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

C8H7ClN4O — CID 84678015

IUPAC2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone
SMILESNCC(=O)c1nc2cccnn2c1Cl
InChIInChI=1S/C8H7ClN4O/c9-8-7(5(14)4-10)12-6-2-1-3-11-13(6)8/h1-3H,4,10H2
InChIKeyGPHAQFJYACKNAR-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.52
Rot. Bonds2

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

2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone (PubChem CID 84678015) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone
PubChem CID84678015
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone
SMILESNCC(=O)c1nc2cccnn2c1Cl
InChIInChI=1S/C8H7ClN4O/c9-8-7(5(14)4-10)12-6-2-1-3-11-13(6)8/h1-3H,4,10H2
InChIKeyGPHAQFJYACKNAR-UHFFFAOYSA-N
XLogP0.52
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone (CID 84678015) is 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone is NCC(=O)c1nc2cccnn2c1Cl.
What is the InChIKey of 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone?
The InChIKey is GPHAQFJYACKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-8-7(5(14)4-10)12-6-2-1-3-11-13(6)8/h1-3H,4,10H2.
What are the key properties of 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone?
2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone has a molecular weight of 210.62 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloroimidazo[1,2-b]pyridazin-2-yl)ethanone is sourced from PubChem (CID 84678015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).