5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one

C11H19N3O3 — CID 103222678

IUPAC5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
SMILESCOCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O3/c1-16-6-3-2-5-14-11(15)8-10(9-13-14)17-7-4-12/h8-9H,2-7,12H2,1H3
InChIKeySXZRRMZQNWDXAN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.01
Rot. Bonds8

About 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one (PubChem CID 103222678) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
PubChem CID103222678
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
SMILESCOCCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O3/c1-16-6-3-2-5-14-11(15)8-10(9-13-14)17-7-4-12/h8-9H,2-7,12H2,1H3
InChIKeySXZRRMZQNWDXAN-UHFFFAOYSA-N
XLogP0.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.01
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

5-(2-Aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103222856
5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
5-(3-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223299
2-(4-Amino-3-ethoxybutyl)pyridazin-3-one
CID 63070112
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one (CID 103222678) is 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one is COCCCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one?
The InChIKey is SXZRRMZQNWDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-16-6-3-2-5-14-11(15)8-10(9-13-14)17-7-4-12/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one is sourced from PubChem (CID 103222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).