6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

C14H21N3O4 — CID 53498696

IUPAC6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CC(C)OCC2C)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-10-9-21-11(2)8-16(10)14(19)12-4-5-13(18)17(15-12)6-7-20-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQSOJUBKAAJHKN-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.14
Rot. Bonds4

About 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 53498696) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID53498696
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CC(C)OCC2C)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-10-9-21-11(2)8-16(10)14(19)12-4-5-13(18)17(15-12)6-7-20-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQSOJUBKAAJHKN-UHFFFAOYSA-N
XLogP0.14
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (CID 53498696) is 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(=O)N2CC(C)OCC2C)ccc1=O.
What is the InChIKey of 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is NQSOJUBKAAJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-9-21-11(2)8-16(10)14(19)12-4-5-13(18)17(15-12)6-7-20-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylmorpholine-4-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 53498696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).