2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C12H17N3O5 — CID 81209253

IUPAC2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1COC(CO)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-8-7-20-9(6-16)4-14(8)12(19)5-15-11(18)3-2-10(17)13-15/h2-3,8-9,16H,4-7H2,1H3,(H,13,17)
InChIKeyDKEYVXXBVQLTES-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.86
Rot. Bonds3

About 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 81209253) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID81209253
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC1COC(CO)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-8-7-20-9(6-16)4-14(8)12(19)5-15-11(18)3-2-10(17)13-15/h2-3,8-9,16H,4-7H2,1H3,(H,13,17)
InChIKeyDKEYVXXBVQLTES-UHFFFAOYSA-N
XLogP-1.86
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 81209253) is 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is CC1COC(CO)CN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is DKEYVXXBVQLTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-8-7-20-9(6-16)4-14(8)12(19)5-15-11(18)3-2-10(17)13-15/h2-3,8-9,16H,4-7H2,1H3,(H,13,17).
What are the key properties of 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 283.28 g/mol, XLogP of -1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 81209253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).