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

C15H12N4OS — CID 126475873

IUPACN-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1coc(CNc2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C15H12N4OS/c1-3-11(20-7-1)9-16-14-5-6-15-17-10-12(19(15)18-14)13-4-2-8-21-13/h1-8,10H,9H2,(H,16,18)
InChIKeySHGLPDJYMJPCNF-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.66
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475873) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID126475873
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1coc(CNc2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C15H12N4OS/c1-3-11(20-7-1)9-16-14-5-6-15-17-10-12(19(15)18-14)13-4-2-8-21-13/h1-8,10H,9H2,(H,16,18)
InChIKeySHGLPDJYMJPCNF-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 N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 126475873) is N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is c1coc(CNc2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SHGLPDJYMJPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-3-11(20-7-1)9-16-14-5-6-15-17-10-12(19(15)18-14)13-4-2-8-21-13/h1-8,10H,9H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[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 N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).