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

C14H22N4O3 — CID 30773839

IUPAC1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-14(19)18-8-6-17(7-9-18)12-4-5-13(16-15-12)21-11-10-20-2/h4-5H,3,6-11H2,1-2H3
InChIKeyZGCMONLWQWMYPV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.56
Rot. Bonds6

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

1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 30773839) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID30773839
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-14(19)18-8-6-17(7-9-18)12-4-5-13(16-15-12)21-11-10-20-2/h4-5H,3,6-11H2,1-2H3
InChIKeyZGCMONLWQWMYPV-UHFFFAOYSA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.56
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]propan-1-one?
The IUPAC name of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 30773839) is 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(OCCOC)nn2)CC1.
What is the InChIKey of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ZGCMONLWQWMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-14(19)18-8-6-17(7-9-18)12-4-5-13(16-15-12)21-11-10-20-2/h4-5H,3,6-11H2,1-2H3.
What are the key properties of 1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 294.36 g/mol, XLogP of 0.56, 6 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]propan-1-one is sourced from PubChem (CID 30773839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).