3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid

C13H19N3O3 — CID 62703015

IUPAC3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC1CN(c2nnc(C)c(C)c2C(=O)O)CCO1
InChIInChI=1S/C13H19N3O3/c1-4-10-7-16(5-6-19-10)12-11(13(17)18)8(2)9(3)14-15-12/h10H,4-7H2,1-3H3,(H,17,18)
InChIKeyHWBWAIWXNZUJSF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid

3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62703015) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62703015
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC1CN(c2nnc(C)c(C)c2C(=O)O)CCO1
InChIInChI=1S/C13H19N3O3/c1-4-10-7-16(5-6-19-10)12-11(13(17)18)8(2)9(3)14-15-12/h10H,4-7H2,1-3H3,(H,17,18)
InChIKeyHWBWAIWXNZUJSF-UHFFFAOYSA-N
XLogP1.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-(1,4-oxazepan-4-yl)pyridazine-4-carboxylic acid
CID 55142314
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
CID 114541183
3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 79839253
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
3-(1,3-dihydroisoindol-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703197
[5,6-diethyl-3-(2-ethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507595
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 114399299
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
CID 66435975
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid (CID 62703015) is 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid is CCC1CN(c2nnc(C)c(C)c2C(=O)O)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is HWBWAIWXNZUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-10-7-16(5-6-19-10)12-11(13(17)18)8(2)9(3)14-15-12/h10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62703015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).