3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C15H12N4OS — CID 126470716

IUPAC3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1coc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C15H12N4OS/c1-4-13(20-7-1)12-10-17-15-6-5-14(18-19(12)15)16-9-11-3-2-8-21-11/h1-8,10H,9H2,(H,16,18)
InChIKeyXRVIARZNQHCEON-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.66
Rot. Bonds4

About 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126470716) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126470716
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1coc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C15H12N4OS/c1-4-13(20-7-1)12-10-17-15-6-5-14(18-19(12)15)16-9-11-3-2-8-21-11/h1-8,10H,9H2,(H,16,18)
InChIKeyXRVIARZNQHCEON-UHFFFAOYSA-N
XLogP3.66
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 126470716) is 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1coc(-c2cnc3ccc(NCc4cccs4)nn23)c1.
What is the InChIKey of 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XRVIARZNQHCEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-4-13(20-7-1)12-10-17-15-6-5-14(18-19(12)15)16-9-11-3-2-8-21-11/h1-8,10H,9H2,(H,16,18).
What are the key properties of 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 296.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126470716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).