2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C15H27N5O — CID 114394736

IUPAC2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCCC(Cn1ncc(N2CCN(C)CC2)cc1=O)NC
InChIInChI=1S/C15H27N5O/c1-4-5-13(16-2)12-20-15(21)10-14(11-17-20)19-8-6-18(3)7-9-19/h10-11,13,16H,4-9,12H2,1-3H3
InChIKeyXWYAONOUWLYUJL-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.38
Rot. Bonds6

About 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114394736) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114394736
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCCCC(Cn1ncc(N2CCN(C)CC2)cc1=O)NC
InChIInChI=1S/C15H27N5O/c1-4-5-13(16-2)12-20-15(21)10-14(11-17-20)19-8-6-18(3)7-9-19/h10-11,13,16H,4-9,12H2,1-3H3
InChIKeyXWYAONOUWLYUJL-UHFFFAOYSA-N
XLogP0.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperazin-1-yl)-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114398963
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396453
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107506454
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 114394736) is 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CCCC(Cn1ncc(N2CCN(C)CC2)cc1=O)NC.
What is the InChIKey of 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is XWYAONOUWLYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-5-13(16-2)12-20-15(21)10-14(11-17-20)19-8-6-18(3)7-9-19/h10-11,13,16H,4-9,12H2,1-3H3.
What are the key properties of 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 293.42 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114394736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).