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

C14H22N4O2 — CID 114396150

IUPAC5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-4-13(19)11(2)18-14(20)9-12(10-15-18)17-7-5-16(3)6-8-17/h9-11H,4-8H2,1-3H3
InChIKeyZYPDGXBCRNDFAD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.54
Rot. Bonds4

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

5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one (PubChem CID 114396150) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
PubChem CID114396150
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCN(C)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-4-13(19)11(2)18-14(20)9-12(10-15-18)17-7-5-16(3)6-8-17/h9-11H,4-8H2,1-3H3
InChIKeyZYPDGXBCRNDFAD-UHFFFAOYSA-N
XLogP0.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
2-(2-oxobutyl)-5-(1-piperazinyl)-3(2H)-pyridazinone
CID 29085430
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-alaninamide
CID 70762803
N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 72841212
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356
2-methyl-5-{4-[(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl}pyridazin-3(2H)-one
CID 72867018
1-{2-[4-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl]-2-oxoethyl}azepan-2-one
CID 72869573
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72869617
N-(tert-butyl)-2-(6-oxo-4-piperazin-1-ylpyridazin-1(6H)-yl)propanamide
CID 72876171
N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1(6H)-yl)butanamide
CID 72895732

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one (CID 114396150) is 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one is CCC(=O)C(C)n1ncc(N2CCN(C)CC2)cc1=O.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The InChIKey is ZYPDGXBCRNDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-13(19)11(2)18-14(20)9-12(10-15-18)17-7-5-16(3)6-8-17/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.54, 4 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-(3-oxopentan-2-yl)pyridazin-3-one is sourced from PubChem (CID 114396150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).