3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine

C19H20N4O2 — CID 71295255

IUPAC3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine
SMILESCC(C)(CCN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C19H20N4O2/c1-19(2,9-10-20)25-18-8-7-17-21-12-14(23(17)22-18)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyWBVUGALQOCVIOW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.65
Rot. Bonds5

About 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine

3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine (PubChem CID 71295255) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine
PubChem CID71295255
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine
SMILESCC(C)(CCN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C19H20N4O2/c1-19(2,9-10-20)25-18-8-7-17-21-12-14(23(17)22-18)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyWBVUGALQOCVIOW-UHFFFAOYSA-N
XLogP3.65
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine?
The IUPAC name of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine (CID 71295255) is 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine.
What is the SMILES notation for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine?
The canonical SMILES for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine is CC(C)(CCN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine?
The InChIKey is WBVUGALQOCVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,9-10-20)25-18-8-7-17-21-12-14(23(17)22-18)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10,20H2,1-2H3.
What are the key properties of 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine?
3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine has a molecular weight of 336.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-methylbutan-1-amine is sourced from PubChem (CID 71295255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).