2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone

C15H24N4O4 — CID 30773854

IUPAC2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1
InChIInChI=1S/C15H24N4O4/c1-3-22-12-15(20)19-8-6-18(7-9-19)13-4-5-14(17-16-13)23-11-10-21-2/h4-5H,3,6-12H2,1-2H3
InChIKeyXPXIJYZAASHHLW-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.19
Rot. Bonds8

About 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone

2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 30773854) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID30773854
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1
InChIInChI=1S/C15H24N4O4/c1-3-22-12-15(20)19-8-6-18(7-9-19)13-4-5-14(17-16-13)23-11-10-21-2/h4-5H,3,6-12H2,1-2H3
InChIKeyXPXIJYZAASHHLW-UHFFFAOYSA-N
XLogP0.19
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.19
H-Bond Donors ≤ 50
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 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 30773854) is 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is XPXIJYZAASHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-3-22-12-15(20)19-8-6-18(7-9-19)13-4-5-14(17-16-13)23-11-10-21-2/h4-5H,3,6-12H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 0.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30773854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).