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

C11H19N3O4 — CID 103222669

IUPAC5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O4/c1-16-6-7-17-5-3-14-11(15)8-10(9-13-14)18-4-2-12/h8-9H,2-7,12H2,1H3
InChIKeyNUTSOKLFSWDPHX-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.76
Rot. Bonds9

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

5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (PubChem CID 103222669) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
PubChem CID103222669
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O4/c1-16-6-7-17-5-3-14-11(15)8-10(9-13-14)18-4-2-12/h8-9H,2-7,12H2,1H3
InChIKeyNUTSOKLFSWDPHX-UHFFFAOYSA-N
XLogP-0.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (CID 103222669) is 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is COCCOCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The InChIKey is NUTSOKLFSWDPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-16-6-7-17-5-3-14-11(15)8-10(9-13-14)18-4-2-12/h8-9H,2-7,12H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one has a molecular weight of 257.29 g/mol, XLogP of -0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103222669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).