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

C13H20N4O3 — CID 30773838

IUPAC1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C13H20N4O3/c1-11(18)16-5-7-17(8-6-16)12-3-4-13(15-14-12)20-10-9-19-2/h3-4H,5-10H2,1-2H3
InChIKeySTJGJRBIQFVWBZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.17
Rot. Bonds5

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

1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 30773838) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID30773838
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C13H20N4O3/c1-11(18)16-5-7-17(8-6-16)12-3-4-13(15-14-12)20-10-9-19-2/h3-4H,5-10H2,1-2H3
InChIKeySTJGJRBIQFVWBZ-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
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 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 30773838) is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is COCCOc1ccc(N2CCN(C(C)=O)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is STJGJRBIQFVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-11(18)16-5-7-17(8-6-16)12-3-4-13(15-14-12)20-10-9-19-2/h3-4H,5-10H2,1-2H3.
What are the key properties of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30773838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).