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

C12H9ClN4 — CID 58857683

IUPAC3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
SMILESNc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C12H9ClN4/c13-11-4-5-12-15-7-10(17(12)16-11)8-2-1-3-9(14)6-8/h1-7H,14H2
InChIKeyQPIYTIVQAQQCFP-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

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

3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline (PubChem CID 58857683) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
PubChem CID58857683
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
SMILESNc1cccc(-c2cnc3ccc(Cl)nn23)c1
InChIInChI=1S/C12H9ClN4/c13-11-4-5-12-15-7-10(17(12)16-11)8-2-1-3-9(14)6-8/h1-7H,14H2
InChIKeyQPIYTIVQAQQCFP-UHFFFAOYSA-N
XLogP2.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amdizalisib
CID 118981804
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
Pyrazine-Pyridine Biheteroaryl 58
CID 5330392
3-(3-chlorophenyl)-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 6419807
K00486
CID 6419820
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
Pde2/pde10-IN-1
CID 71295299
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline?
The IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline (CID 58857683) is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline?
The canonical SMILES for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline is Nc1cccc(-c2cnc3ccc(Cl)nn23)c1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline?
The InChIKey is QPIYTIVQAQQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-11-4-5-12-15-7-10(17(12)16-11)8-2-1-3-9(14)6-8/h1-7H,14H2.
What are the key properties of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline?
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline has a molecular weight of 244.69 g/mol, XLogP of 2.63, 1 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)aniline is sourced from PubChem (CID 58857683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).