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

C12H16N4O4 — CID 63606034

IUPAC2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1(C)C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-12(2)11(20)13-5-6-15(12)10(19)7-16-9(18)4-3-8(17)14-16/h3-4H,5-7H2,1-2H3,(H,13,20)(H,14,17)
InChIKeyHJGXKXPCPBBPRS-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.73
Rot. Bonds2

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

2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 63606034) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID63606034
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1(C)C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H16N4O4/c1-12(2)11(20)13-5-6-15(12)10(19)7-16-9(18)4-3-8(17)14-16/h3-4H,5-7H2,1-2H3,(H,13,20)(H,14,17)
InChIKeyHJGXKXPCPBBPRS-UHFFFAOYSA-N
XLogP-1.73
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

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

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Related Compounds

2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
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-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45819350
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
N-tert-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53518059
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
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387004
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63373929
2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63600484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 63606034) is 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CC1(C)C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is HJGXKXPCPBBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-12(2)11(20)13-5-6-15(12)10(19)7-16-9(18)4-3-8(17)14-16/h3-4H,5-7H2,1-2H3,(H,13,20)(H,14,17).
What are the key properties of 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 280.28 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63606034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).