3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C17H14N4O2 — CID 58857694

IUPAC3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C17H14N4O2/c22-13-4-1-3-12(9-13)15-11-19-17-7-6-16(20-21(15)17)18-10-14-5-2-8-23-14/h1-9,11,22H,10H2,(H,18,20)
InChIKeyQLSAVVVAAAEDQY-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.31
Rot. Bonds4

About 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 58857694) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID58857694
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C17H14N4O2/c22-13-4-1-3-12(9-13)15-11-19-17-7-6-16(20-21(15)17)18-10-14-5-2-8-23-14/h1-9,11,22H,10H2,(H,18,20)
InChIKeyQLSAVVVAAAEDQY-UHFFFAOYSA-N
XLogP3.31
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 58857694) is 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1cccc(-c2cnc3ccc(NCc4ccco4)nn23)c1.
What is the InChIKey of 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is QLSAVVVAAAEDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-13-4-1-3-12(9-13)15-11-19-17-7-6-16(20-21(15)17)18-10-14-5-2-8-23-14/h1-9,11,22H,10H2,(H,18,20).
What are the key properties of 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 306.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(furan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 58857694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).