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

C11H14N4O4 — CID 63373929

IUPAC2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H14N4O4/c1-7-11(19)12-4-5-14(7)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,16)
InChIKeyLUONMADZGLMCNX-UHFFFAOYSA-N
MW266.26 g/mol
LogP-2.12
Rot. Bonds2

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

2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 63373929) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID63373929
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H14N4O4/c1-7-11(19)12-4-5-14(7)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,16)
InChIKeyLUONMADZGLMCNX-UHFFFAOYSA-N
XLogP-2.12
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 63373929) is 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CC1C(=O)NCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is LUONMADZGLMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-11(19)12-4-5-14(7)10(18)6-15-9(17)3-2-8(16)13-15/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,16).
What are the key properties of 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 266.26 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63373929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).