6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid

C12H17N3O3 — CID 117102613

IUPAC6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCC(C)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-8-3-5-15(6-4-8)11-9(12(16)17)7-10(18-2)13-14-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyPGLKEHHFOYNLLZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.42
Rot. Bonds3

About 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid

6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 117102613) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
PubChem CID117102613
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCC(C)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-8-3-5-15(6-4-8)11-9(12(16)17)7-10(18-2)13-14-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyPGLKEHHFOYNLLZ-UHFFFAOYSA-N
XLogP1.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid (CID 117102613) is 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(N2CCC(C)CC2)nn1.
What is the InChIKey of 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is PGLKEHHFOYNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-3-5-15(6-4-8)11-9(12(16)17)7-10(18-2)13-14-11/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid?
6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylpiperidin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).