2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C10H10N4O5 — CID 66085880

IUPAC2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC(=O)N1
InChIInChI=1S/C10H10N4O5/c15-6-1-2-9(18)14(12-6)5-10(19)13-3-7(16)11-8(17)4-13/h1-2H,3-5H2,(H,12,15)(H,11,16,17)
InChIKeyYQVKJZMGVROJSB-UHFFFAOYSA-N
MW266.21 g/mol
LogP-2.98
Rot. Bonds2

About 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 66085880) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID66085880
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC(=O)N1
InChIInChI=1S/C10H10N4O5/c15-6-1-2-9(18)14(12-6)5-10(19)13-3-7(16)11-8(17)4-13/h1-2H,3-5H2,(H,12,15)(H,11,16,17)
InChIKeyYQVKJZMGVROJSB-UHFFFAOYSA-N
XLogP-2.98
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-2.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
1-[2-(4-Aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
CID 121428720
1-[(E)-4-(2,5-dioxopiperazin-1-yl)-4-oxobut-2-enoyl]piperazine-2,5-dione
CID 162385963
2-(2,5-dioxopyrrol-1-yl)-N'-[2-(2,5-dioxopyrrol-1-yl)acetyl]acetohydrazide
CID 175805177
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-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53517567
2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 55023786
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-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 66085880) is 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC(=O)N1.
What is the InChIKey of 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is YQVKJZMGVROJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-6-1-2-9(18)14(12-6)5-10(19)13-3-7(16)11-8(17)4-13/h1-2H,3-5H2,(H,12,15)(H,11,16,17).
What are the key properties of 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 266.21 g/mol, XLogP of -2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 66085880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).