4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione

C12H14N4O5 — CID 66074568

IUPAC4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H14N4O5/c1-12(2)11(21)13-8(18)5-15(12)10(20)6-16-9(19)4-3-7(17)14-16/h3-4H,5-6H2,1-2H3,(H,14,17)(H,13,18,21)
InChIKeyUOXBYIDEZYRCBW-UHFFFAOYSA-N
MW294.27 g/mol
LogP-2.20
Rot. Bonds2

About 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074568) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074568
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H14N4O5/c1-12(2)11(21)13-8(18)5-15(12)10(20)6-16-9(19)4-3-7(17)14-16/h3-4H,5-6H2,1-2H3,(H,14,17)(H,13,18,21)
InChIKeyUOXBYIDEZYRCBW-UHFFFAOYSA-N
XLogP-2.20
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione with MolForge

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Related Compounds

2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
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
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
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
2-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63606034
2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66062120
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66068512
2-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66085880
4-But-2-enoyl-3,3-dimethylpiperazine-2,6-dione
CID 77112110

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66074568) is 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is UOXBYIDEZYRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-12(2)11(21)13-8(18)5-15(12)10(20)6-16-9(19)4-3-7(17)14-16/h3-4H,5-6H2,1-2H3,(H,14,17)(H,13,18,21).
What are the key properties of 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 294.27 g/mol, XLogP of -2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).