3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid

C15H23N3O3 — CID 80517960

IUPAC3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(N2CC(C)OC(C)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-5-11-12(6-2)16-17-14(13(11)15(19)20)18-7-9(3)21-10(4)8-18/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyNERBWCWWOPWJBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid

3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 80517960) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID80517960
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(N2CC(C)OC(C)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-5-11-12(6-2)16-17-14(13(11)15(19)20)18-7-9(3)21-10(4)8-18/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyNERBWCWWOPWJBQ-UHFFFAOYSA-N
XLogP1.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid (CID 80517960) is 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(N2CC(C)OC(C)C2)c(C(=O)O)c1CC.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is NERBWCWWOPWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-11-12(6-2)16-17-14(13(11)15(19)20)18-7-9(3)21-10(4)8-18/h9-10H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid?
3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 80517960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).