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

C9H7ClN4O — CID 169481959

IUPAC3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H7ClN4O/c10-7-2-4-9-12-5-6(14(9)13-7)1-3-8(11)15/h1-5H,(H2,11,15)
InChIKeyJLNLVKXVRPZUEL-UHFFFAOYSA-N
MW222.64 g/mol
LogP0.88
Rot. Bonds2

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

3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide (PubChem CID 169481959) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
PubChem CID169481959
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H7ClN4O/c10-7-2-4-9-12-5-6(14(9)13-7)1-3-8(11)15/h1-5H,(H2,11,15)
InChIKeyJLNLVKXVRPZUEL-UHFFFAOYSA-N
XLogP0.88
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide?
The IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide (CID 169481959) is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide is NC(=O)C=Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide?
The InChIKey is JLNLVKXVRPZUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-7-2-4-9-12-5-6(14(9)13-7)1-3-8(11)15/h1-5H,(H2,11,15).
What are the key properties of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide?
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide has a molecular weight of 222.64 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide is sourced from PubChem (CID 169481959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).