6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one

C12H18N4O3 — CID 105061828

IUPAC6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H18N4O3/c1-19-10-2-3-12(18)16(14-10)7-4-11(17)15-8-5-13-6-9-15/h2-3,13H,4-9H2,1H3
InChIKeyKPGZTJNZSJUFHJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.93
Rot. Bonds4

About 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one

6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one (PubChem CID 105061828) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
PubChem CID105061828
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H18N4O3/c1-19-10-2-3-12(18)16(14-10)7-4-11(17)15-8-5-13-6-9-15/h2-3,13H,4-9H2,1H3
InChIKeyKPGZTJNZSJUFHJ-UHFFFAOYSA-N
XLogP-0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one (CID 105061828) is 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one is COc1ccc(=O)n(CCC(=O)N2CCNCC2)n1.
What is the InChIKey of 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one?
The InChIKey is KPGZTJNZSJUFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-10-2-3-12(18)16(14-10)7-4-11(17)15-8-5-13-6-9-15/h2-3,13H,4-9H2,1H3.
What are the key properties of 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one?
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one has a molecular weight of 266.30 g/mol, XLogP of -0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 105061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).