N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

C17H15N5S — CID 126475781

IUPACN-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cccs4)n3n2)nc1
InChIInChI=1S/C17H15N5S/c1-2-9-18-13(4-1)8-10-19-16-6-7-17-20-12-14(22(17)21-16)15-5-3-11-23-15/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeyZSPDWBALXLCTAY-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.51
Rot. Bonds5

About N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475781) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID126475781
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC NameN-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cccs4)n3n2)nc1
InChIInChI=1S/C17H15N5S/c1-2-9-18-13(4-1)8-10-19-16-6-7-17-20-12-14(22(17)21-16)15-5-3-11-23-15/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeyZSPDWBALXLCTAY-UHFFFAOYSA-N
XLogP3.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 126475781) is N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is c1ccc(CCNc2ccc3ncc(-c4cccs4)n3n2)nc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ZSPDWBALXLCTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-2-9-18-13(4-1)8-10-19-16-6-7-17-20-12-14(22(17)21-16)15-5-3-11-23-15/h1-7,9,11-12H,8,10H2,(H,19,21).
What are the key properties of N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 321.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).