2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione

C10H14N4O3 — CID 82511010

IUPAC2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-1-2-9(16)14(12-8)7-10(17)13-5-3-11-4-6-13/h1-2,11H,3-7H2,(H,12,15)
InChIKeySXRBRZAKRCPZST-UHFFFAOYSA-N
MW238.25 g/mol
LogP-2.03
Rot. Bonds2

About 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione

2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione (PubChem CID 82511010) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
PubChem CID82511010
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-1-2-9(16)14(12-8)7-10(17)13-5-3-11-4-6-13/h1-2,11H,3-7H2,(H,12,15)
InChIKeySXRBRZAKRCPZST-UHFFFAOYSA-N
XLogP-2.03
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Aminopiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
CID 121428720
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 141361486
(E)-4-(2-oxopiperazin-1-yl)but-2-enamide
CID 144927338
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
N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
CID 44996002
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
2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 56720919
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione (CID 82511010) is 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCNCC1.
What is the InChIKey of 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The InChIKey is SXRBRZAKRCPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8-1-2-9(16)14(12-8)7-10(17)13-5-3-11-4-6-13/h1-2,11H,3-7H2,(H,12,15).
What are the key properties of 2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
2-(2-oxo-2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione has a molecular weight of 238.25 g/mol, XLogP of -2.03, 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-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 82511010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).