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

C14H22N4O4 — CID 30773853

IUPAC2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(=O)COC)CC2)nn1
InChIInChI=1S/C14H22N4O4/c1-20-9-10-22-13-4-3-12(15-16-13)17-5-7-18(8-6-17)14(19)11-21-2/h3-4H,5-11H2,1-2H3
InChIKeyZNFQMGZZNOBSOV-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.20
Rot. Bonds7

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

2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 30773853) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID30773853
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(=O)COC)CC2)nn1
InChIInChI=1S/C14H22N4O4/c1-20-9-10-22-13-4-3-12(15-16-13)17-5-7-18(8-6-17)14(19)11-21-2/h3-4H,5-11H2,1-2H3
InChIKeyZNFQMGZZNOBSOV-UHFFFAOYSA-N
XLogP-0.20
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.20
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-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 30773853) is 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is COCCOc1ccc(N2CCN(C(=O)COC)CC2)nn1.
What is the InChIKey of 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is ZNFQMGZZNOBSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-20-9-10-22-13-4-3-12(15-16-13)17-5-7-18(8-6-17)14(19)11-21-2/h3-4H,5-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 310.35 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).