3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one

C17H27N3O4 — CID 129486252

IUPAC3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1CC
InChIInChI=1S/C17H27N3O4/c1-6-12-13(7-2)18-19-15(21)14(12)16(22)20-8-11(9-23-5)24-17(3,4)10-20/h11H,6-10H2,1-5H3,(H,19,21)/t11-/m1/s1
InChIKeyYBAYCESPPVOLSA-LLVKDONJSA-N
MW337.42 g/mol
LogP1.16
Rot. Bonds5

About 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one

3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one (PubChem CID 129486252) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one
PubChem CID129486252
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1CC
InChIInChI=1S/C17H27N3O4/c1-6-12-13(7-2)18-19-15(21)14(12)16(22)20-8-11(9-23-5)24-17(3,4)10-20/h11H,6-10H2,1-5H3,(H,19,21)/t11-/m1/s1
InChIKeyYBAYCESPPVOLSA-LLVKDONJSA-N
XLogP1.16
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one (CID 129486252) is 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1CC.
What is the InChIKey of 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YBAYCESPPVOLSA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-6-12-13(7-2)18-19-15(21)14(12)16(22)20-8-11(9-23-5)24-17(3,4)10-20/h11H,6-10H2,1-5H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one has a molecular weight of 337.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 129486252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).