4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol

C11H11N3O — CID 122243000

IUPAC4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2nccn2n1
InChIInChI=1S/C11H11N3O/c1-11(2,15)6-5-9-3-4-10-12-7-8-14(10)13-9/h3-4,7-8,15H,1-2H3
InChIKeySSFFWVRLBAXFST-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.85
Rot. Bonds

About 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol

4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol (PubChem CID 122243000) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol
PubChem CID122243000
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2nccn2n1
InChIInChI=1S/C11H11N3O/c1-11(2,15)6-5-9-3-4-10-12-7-8-14(10)13-9/h3-4,7-8,15H,1-2H3
InChIKeySSFFWVRLBAXFST-UHFFFAOYSA-N
XLogP0.85
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol (CID 122243000) is 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc2nccn2n1.
What is the InChIKey of 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol?
The InChIKey is SSFFWVRLBAXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-11(2,15)6-5-9-3-4-10-12-7-8-14(10)13-9/h3-4,7-8,15H,1-2H3.
What are the key properties of 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol?
4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol has a molecular weight of 201.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-b]pyridazin-6-yl-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 122243000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).