2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C11H12N4O5 — CID 66062120

IUPAC2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H12N4O5/c1-6-11(20)12-8(17)4-14(6)10(19)5-15-9(18)3-2-7(16)13-15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,12,17,20)
InChIKeyGOOHWNSLHYTFOE-UHFFFAOYSA-N
MW280.24 g/mol
LogP-2.59
Rot. Bonds2

About 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 66062120) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID66062120
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H12N4O5/c1-6-11(20)12-8(17)4-14(6)10(19)5-15-9(18)3-2-7(16)13-15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,12,17,20)
InChIKeyGOOHWNSLHYTFOE-UHFFFAOYSA-N
XLogP-2.59
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 66062120) is 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CC1C(=O)NC(=O)CN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is GOOHWNSLHYTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-6-11(20)12-8(17)4-14(6)10(19)5-15-9(18)3-2-7(16)13-15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,12,17,20).
What are the key properties of 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 280.24 g/mol, XLogP of -2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 66062120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).