2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one

C13H23N3O3 — CID 105062167

IUPAC2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCCCCOCCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H23N3O3/c1-3-4-10-19-11-8-14-7-9-16-13(17)6-5-12(15-16)18-2/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyWEFSPHWEJPUJOV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.66
Rot. Bonds10

About 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one

2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062167) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one
PubChem CID105062167
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCCCCOCCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H23N3O3/c1-3-4-10-19-11-8-14-7-9-16-13(17)6-5-12(15-16)18-2/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyWEFSPHWEJPUJOV-UHFFFAOYSA-N
XLogP0.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.66
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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Related Compounds

Trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
CID 3380577
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
6-[2-(Trimethylamino)ethoxy]-2-[2-(trimethylamino)ethyl]-2-hydropyridazin-3-on e, iodide, iodide
CID 18528221
2-[2-(2-Butoxyethylamino)ethyl]pyridazin-3-one
CID 55126781
2-[2-(1-Methoxypropan-2-ylamino)ethyl]pyridazin-3-one
CID 62848751
2-[2-(2-Methoxyethylamino)ethyl]pyridazin-3-one
CID 62849093
2-[2-(2-Ethoxyethylamino)ethyl]pyridazin-3-one
CID 62850693
2-[2-(2-Butoxyethylamino)ethyl]-6-methylpyridazin-3-one
CID 62922499
2-[2-(2-Ethoxyethylamino)ethyl]-6-methylpyridazin-3-one
CID 62926707
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
CID 105061521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one (CID 105062167) is 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one is CCCCOCCNCCn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is WEFSPHWEJPUJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-4-10-19-11-8-14-7-9-16-13(17)6-5-12(15-16)18-2/h5-6,14H,3-4,7-11H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one?
2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 269.34 g/mol, XLogP of 0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethylamino)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).