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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Related Compounds

1-(6-Chloroimidazo(1,2-b)pyridazin-3-yl)ethan-1-one
CID 13248805
6-Chloro-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 168444628
6-Chloro-2-methylimidazo(1,2-b)pyridazine
CID 10442072
N-{6-chloroimidazo[1,2-b]pyridazin-2-yl}-2,2,2-trifluoroacetamide
CID 57749420
6-chloro-3-[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]imidazo[1,2-b]pyridazine
CID 155111056
6-Chloro-3-(1,2-difluoroethyl)imidazo[1,2-b]pyridazine
CID 168217399
6-Chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazine
CID 176376148
6-Chloro-3-prop-2-enylimidazo[1,2-b]pyridazine
CID 164675841
6-chloro-3-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-b]pyridazine
CID 144515406
6-chloro-N-(2-fluoroethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 178384631
2-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)acetamide
CID 10375842
6-Chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 10488149

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).