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

C14H16N4OS — CID 126474713

IUPAC2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cccs3)n2n1
InChIInChI=1S/C14H16N4OS/c1-2-10(9-19)16-13-5-6-14-15-8-11(18(14)17-13)12-4-3-7-20-12/h3-8,10,19H,2,9H2,1H3,(H,16,17)
InChIKeyUQFIAMPNNQIVCW-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.64
Rot. Bonds5

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

2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (PubChem CID 126474713) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
PubChem CID126474713
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cccs3)n2n1
InChIInChI=1S/C14H16N4OS/c1-2-10(9-19)16-13-5-6-14-15-8-11(18(14)17-13)12-4-3-7-20-12/h3-8,10,19H,2,9H2,1H3,(H,16,17)
InChIKeyUQFIAMPNNQIVCW-UHFFFAOYSA-N
XLogP2.64
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (CID 126474713) is 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3cccs3)n2n1.
What is the InChIKey of 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The InChIKey is UQFIAMPNNQIVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-10(9-19)16-13-5-6-14-15-8-11(18(14)17-13)12-4-3-7-20-12/h3-8,10,19H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol has a molecular weight of 288.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 126474713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).