2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C11H15N3O4 — CID 71899325

IUPAC2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1
InChIInChI=1S/C11H15N3O4/c1-8-6-13(4-5-18-8)11(17)7-14-10(16)3-2-9(15)12-14/h2-3,8H,4-7H2,1H3,(H,12,15)
InChIKeyXEVHNOJUHIHTKM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.22
Rot. Bonds2

About 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 71899325) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID71899325
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1
InChIInChI=1S/C11H15N3O4/c1-8-6-13(4-5-18-8)11(17)7-14-10(16)3-2-9(15)12-14/h2-3,8H,4-7H2,1H3,(H,12,15)
InChIKeyXEVHNOJUHIHTKM-UHFFFAOYSA-N
XLogP-1.22
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 71899325) is 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCO1.
What is the InChIKey of 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is XEVHNOJUHIHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-6-13(4-5-18-8)11(17)7-14-10(16)3-2-9(15)12-14/h2-3,8H,4-7H2,1H3,(H,12,15).
What are the key properties of 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 71899325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).