N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

C15H16N4OS — CID 58857830

IUPACN-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C15H16N4OS/c1-2-13(21-9-1)12-10-16-15-4-3-14(18-19(12)15)17-11-5-7-20-8-6-11/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyXKJLRESMJACVSY-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.05
Rot. Bonds3

About N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857830) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID58857830
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C15H16N4OS/c1-2-13(21-9-1)12-10-16-15-4-3-14(18-19(12)15)17-11-5-7-20-8-6-11/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyXKJLRESMJACVSY-UHFFFAOYSA-N
XLogP3.05
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 58857830) is N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is c1csc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.
What is the InChIKey of N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XKJLRESMJACVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-13(21-9-1)12-10-16-15-4-3-14(18-19(12)15)17-11-5-7-20-8-6-11/h1-4,9-11H,5-8H2,(H,17,18).
What are the key properties of N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 300.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).