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

C12H16N4O4 — CID 63600484

IUPAC2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-2-8-12(20)13-5-6-15(8)11(19)7-16-10(18)4-3-9(17)14-16/h3-4,8H,2,5-7H2,1H3,(H,13,20)(H,14,17)
InChIKeyXJAIAJOESSOSLA-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.73
Rot. Bonds3

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

2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 63600484) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID63600484
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCCC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-2-8-12(20)13-5-6-15(8)11(19)7-16-10(18)4-3-9(17)14-16/h3-4,8H,2,5-7H2,1H3,(H,13,20)(H,14,17)
InChIKeyXJAIAJOESSOSLA-UHFFFAOYSA-N
XLogP-1.73
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 63600484) is 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CCC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is XJAIAJOESSOSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-2-8-12(20)13-5-6-15(8)11(19)7-16-10(18)4-3-9(17)14-16/h3-4,8H,2,5-7H2,1H3,(H,13,20)(H,14,17).
What are the key properties of 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 280.28 g/mol, XLogP of -1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63600484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).