2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C13H19N3O3 — CID 70773082

IUPAC2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCC[C@H]1COCCN1C(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-3-11-9-19-7-6-15(11)13(18)8-16-12(17)5-4-10(2)14-16/h4-5,11H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyFKDGWPQXLMXNPJ-NSHDSACASA-N
MW265.31 g/mol
LogP0.19
Rot. Bonds3

About 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 70773082) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID70773082
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCC[C@H]1COCCN1C(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-3-11-9-19-7-6-15(11)13(18)8-16-12(17)5-4-10(2)14-16/h4-5,11H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyFKDGWPQXLMXNPJ-NSHDSACASA-N
XLogP0.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 70773082) is 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one is CC[C@H]1COCCN1C(=O)Cn1nc(C)ccc1=O.
What is the InChIKey of 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is FKDGWPQXLMXNPJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-11-9-19-7-6-15(11)13(18)8-16-12(17)5-4-10(2)14-16/h4-5,11H,3,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 70773082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).