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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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).