2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C11H16N4O3 — CID 60634733

IUPAC2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)8-15-10(17)3-2-9(16)12-15/h2-3H,4-8H2,1H3,(H,12,16)
InChIKeyAFUOGDJGZKKCPU-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.69
Rot. Bonds2

About 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 60634733) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID60634733
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)8-15-10(17)3-2-9(16)12-15/h2-3H,4-8H2,1H3,(H,12,16)
InChIKeyAFUOGDJGZKKCPU-UHFFFAOYSA-N
XLogP-1.69
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
1-[2-(4-Aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
CID 121428720
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
1-[4-[Methyl(methylamino)amino]piperazin-1-yl]prop-2-en-1-one
CID 146389480
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-enamide
CID 153802612
(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide
CID 155002210
(E)-4-(dimethylamino)-1-[4-(methylamino)piperazin-1-yl]but-2-en-1-one
CID 156062314
2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
2-Oxo-2-(4-prop-2-enylpiperazin-1-yl)acetohydrazide
CID 2756309

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 60634733) is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CN1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is AFUOGDJGZKKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)8-15-10(17)3-2-9(16)12-15/h2-3H,4-8H2,1H3,(H,12,16).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 252.27 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60634733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).