4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid

C12H15N3O4 — CID 113439193

IUPAC4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOCC2C(=O)O)c(C)nn1
InChIInChI=1S/C12H15N3O4/c1-7-5-9(8(2)14-13-7)11(16)15-3-4-19-6-10(15)12(17)18/h5,10H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyKAWVLMOLEWCECP-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.02
Rot. Bonds2

About 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid

4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid (PubChem CID 113439193) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
PubChem CID113439193
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOCC2C(=O)O)c(C)nn1
InChIInChI=1S/C12H15N3O4/c1-7-5-9(8(2)14-13-7)11(16)15-3-4-19-6-10(15)12(17)18/h5,10H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyKAWVLMOLEWCECP-UHFFFAOYSA-N
XLogP0.02
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
(2S,4R)-1-(3,6-dimethylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113439181
4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
CID 120521790
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216360
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid (CID 113439193) is 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid is Cc1cc(C(=O)N2CCOCC2C(=O)O)c(C)nn1.
What is the InChIKey of 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is KAWVLMOLEWCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-5-9(8(2)14-13-7)11(16)15-3-4-19-6-10(15)12(17)18/h5,10H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid?
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 113439193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).