2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione

C10H12N4O4 — CID 55023786

IUPAC2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCN1
InChIInChI=1S/C10H12N4O4/c15-7-1-2-9(17)14(12-7)6-10(18)13-4-3-11-8(16)5-13/h1-2H,3-6H2,(H,11,16)(H,12,15)
InChIKeySTBNRKWYKQRWAR-UHFFFAOYSA-N
MW252.23 g/mol
LogP-2.51
Rot. Bonds2

About 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione

2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 55023786) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
PubChem CID55023786
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCN1
InChIInChI=1S/C10H12N4O4/c15-7-1-2-9(17)14(12-7)6-10(18)13-4-3-11-8(16)5-13/h1-2H,3-6H2,(H,11,16)(H,12,15)
InChIKeySTBNRKWYKQRWAR-UHFFFAOYSA-N
XLogP-2.51
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 141361486
1-[(E)-4-(2,5-dioxopiperazin-1-yl)-4-oxobut-2-enoyl]piperazine-2,5-dione
CID 162385963
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
CID 3809948
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
CID 5095960
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43416271
2-[4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521218
N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
CID 44996002
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 53500255
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53517567
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione (CID 55023786) is 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione is O=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCN1.
What is the InChIKey of 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is STBNRKWYKQRWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-7-1-2-9(17)14(12-7)6-10(18)13-4-3-11-8(16)5-13/h1-2H,3-6H2,(H,11,16)(H,12,15).
What are the key properties of 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione?
2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 252.23 g/mol, XLogP of -2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).