3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol

C19H24N4O2 — CID 71154364

IUPAC3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCN(CC)CCCOc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C19H24N4O2/c1-3-22(4-2)11-6-12-25-19-10-9-18-20-14-17(23(18)21-19)15-7-5-8-16(24)13-15/h5,7-10,13-14,24H,3-4,6,11-12H2,1-2H3
InChIKeyBSJUHEFVVNLTPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.21
Rot. Bonds8

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

3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 71154364) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID71154364
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCN(CC)CCCOc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C19H24N4O2/c1-3-22(4-2)11-6-12-25-19-10-9-18-20-14-17(23(18)21-19)15-7-5-8-16(24)13-15/h5,7-10,13-14,24H,3-4,6,11-12H2,1-2H3
InChIKeyBSJUHEFVVNLTPO-UHFFFAOYSA-N
XLogP3.21
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.21
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 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 71154364) is 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol is CCN(CC)CCCOc1ccc2ncc(-c3cccc(O)c3)n2n1.
What is the InChIKey of 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is BSJUHEFVVNLTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-22(4-2)11-6-12-25-19-10-9-18-20-14-17(23(18)21-19)15-7-5-8-16(24)13-15/h5,7-10,13-14,24H,3-4,6,11-12H2,1-2H3.
What are the key properties of 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 340.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 71154364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).