5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one

C13H23N3O3 — CID 103222854

IUPAC5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H23N3O3/c1-11(2)3-6-18-8-5-16-13(17)9-12(10-15-16)19-7-4-14/h9-11H,3-8,14H2,1-2H3
InChIKeyTXEANXLHCQZHRE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.64
Rot. Bonds9

About 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (PubChem CID 103222854) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
PubChem CID103222854
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
SMILESCC(C)CCOCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C13H23N3O3/c1-11(2)3-6-18-8-5-16-13(17)9-12(10-15-16)19-7-4-14/h9-11H,3-8,14H2,1-2H3
InChIKeyTXEANXLHCQZHRE-UHFFFAOYSA-N
XLogP0.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.64
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 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one (CID 103222854) is 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is CC(C)CCOCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
The InChIKey is TXEANXLHCQZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-11(2)3-6-18-8-5-16-13(17)9-12(10-15-16)19-7-4-14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one has a molecular weight of 269.34 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103222854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).