5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one

C15H24N4O2 — CID 114396148

IUPAC5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
SMILESCC(=O)CCCCn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-13(20)5-3-4-6-19-15(21)11-14(12-16-19)18-9-7-17(2)8-10-18/h11-12H,3-10H2,1-2H3
InChIKeyAWOOULYEJVUYCD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one

5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one (PubChem CID 114396148) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
PubChem CID114396148
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
SMILESCC(=O)CCCCn1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-13(20)5-3-4-6-19-15(21)11-14(12-16-19)18-9-7-17(2)8-10-18/h11-12H,3-10H2,1-2H3
InChIKeyAWOOULYEJVUYCD-UHFFFAOYSA-N
XLogP0.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.75
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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Related Compounds

2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
2-[3-(2-methylimidazol-1-yl)propyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 72929849
5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one (CID 114396148) is 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one is CC(=O)CCCCn1ncc(N2CCN(C)CC2)cc1=O.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one?
The InChIKey is AWOOULYEJVUYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-13(20)5-3-4-6-19-15(21)11-14(12-16-19)18-9-7-17(2)8-10-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 114396148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).