[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

C17H13N3OS — CID 126673064

IUPAC[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2
InChIKeyQASIOWNTGRVGSQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.62
Rot. Bonds3

About [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (PubChem CID 126673064) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
PubChem CID126673064
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2
InChIKeyQASIOWNTGRVGSQ-UHFFFAOYSA-N
XLogP3.62
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The IUPAC name of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (CID 126673064) is [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.
What is the SMILES notation for [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The canonical SMILES for [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The InChIKey is QASIOWNTGRVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-11-12-3-1-4-13(9-12)14-6-7-17-18-10-15(20(17)19-14)16-5-2-8-22-16/h1-10,21H,11H2.
What are the key properties of [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
[3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol has a molecular weight of 307.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is sourced from PubChem (CID 126673064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).