N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine

C19H20N4O2 — CID 71744468

IUPACN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C19H20N4O2/c1-13(2)20-9-10-24-19-8-7-18-21-12-15(23(18)22-19)17-11-14-5-3-4-6-16(14)25-17/h3-8,11-13,20H,9-10H2,1-2H3
InChIKeyUFKPTPALCUPKHB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine

N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine (PubChem CID 71744468) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine
PubChem CID71744468
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C19H20N4O2/c1-13(2)20-9-10-24-19-8-7-18-21-12-15(23(18)22-19)17-11-14-5-3-4-6-16(14)25-17/h3-8,11-13,20H,9-10H2,1-2H3
InChIKeyUFKPTPALCUPKHB-UHFFFAOYSA-N
XLogP3.52
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine (CID 71744468) is N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine is CC(C)NCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine?
The InChIKey is UFKPTPALCUPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)20-9-10-24-19-8-7-18-21-12-15(23(18)22-19)17-11-14-5-3-4-6-16(14)25-17/h3-8,11-13,20H,9-10H2,1-2H3.
What are the key properties of N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine?
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine has a molecular weight of 336.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-2-amine is sourced from PubChem (CID 71744468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).