methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate

C13H19N3O2 — CID 71975674

IUPACmethyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C)CC2C)nn1
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(10(2)8-9)12-5-4-11(14-15-12)13(17)18-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyJEJXXDWCYZHZLF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.89
Rot. Bonds2

About methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate

methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate (PubChem CID 71975674) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate
PubChem CID71975674
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C)CC2C)nn1
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(10(2)8-9)12-5-4-11(14-15-12)13(17)18-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyJEJXXDWCYZHZLF-UHFFFAOYSA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Methylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 20982967
Methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride
CID 71756889
6-(4-Benzylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 71778745
Methyl 6-(4-phenylpiperidin-1-yl)pyridazine-3-carboxylate
CID 71940106
Methyl 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 71940111
methyl 6-[4-(N-methylanilino)piperidin-1-yl]pyridazine-3-carboxylate
CID 71977949
Methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047
Ethyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134788487
Butyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134790927
Ethyl 6-(piperidin-1-yl)pyridazine-3-carboxylate
CID 71778744
Methyl 6-(pyrrolidin-1-yl)pyridazine-3-carboxylate
CID 16876478
Methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate (CID 71975674) is methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC(C)CC2C)nn1.
What is the InChIKey of methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate?
The InChIKey is JEJXXDWCYZHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-7-16(10(2)8-9)12-5-4-11(14-15-12)13(17)18-3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate?
methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 71975674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).