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

C15H12N4OS — CID 126475785

IUPAC3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccoc4)n3n2)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-7-1)8-16-14-3-4-15-17-9-13(19(15)18-14)11-5-6-20-10-11/h1-7,9-10H,8H2,(H,16,18)
InChIKeyKGERTKHRPZDKSO-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.66
Rot. Bonds4

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

3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475785) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126475785
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccoc4)n3n2)c1
InChIInChI=1S/C15H12N4OS/c1-2-12(21-7-1)8-16-14-3-4-15-17-9-13(19(15)18-14)11-5-6-20-10-11/h1-7,9-10H,8H2,(H,16,18)
InChIKeyKGERTKHRPZDKSO-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-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 126475785) is 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1csc(CNc2ccc3ncc(-c4ccoc4)n3n2)c1.
What is the InChIKey of 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KGERTKHRPZDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-12(21-7-1)8-16-14-3-4-15-17-9-13(19(15)18-14)11-5-6-20-10-11/h1-7,9-10H,8H2,(H,16,18).
What are the key properties of 3-(furan-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(furan-3-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-3-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).