3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol

C13H14N4OS — CID 58857806

IUPAC3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C13H14N4OS/c18-6-1-5-14-12-2-3-13-15-8-11(17(13)16-12)10-4-7-19-9-10/h2-4,7-9,18H,1,5-6H2,(H,14,16)
InChIKeyOTIGCPMJPAXXSD-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.25
Rot. Bonds5

About 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol

3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol (PubChem CID 58857806) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
PubChem CID58857806
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3ccsc3)n2n1
InChIInChI=1S/C13H14N4OS/c18-6-1-5-14-12-2-3-13-15-8-11(17(13)16-12)10-4-7-19-9-10/h2-4,7-9,18H,1,5-6H2,(H,14,16)
InChIKeyOTIGCPMJPAXXSD-UHFFFAOYSA-N
XLogP2.25
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol (CID 58857806) is 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol is OCCCNc1ccc2ncc(-c3ccsc3)n2n1.
What is the InChIKey of 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
The InChIKey is OTIGCPMJPAXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-6-1-5-14-12-2-3-13-15-8-11(17(13)16-12)10-4-7-19-9-10/h2-4,7-9,18H,1,5-6H2,(H,14,16).
What are the key properties of 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol?
3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol has a molecular weight of 274.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 58857806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).