6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid

C11H15N3O3 — CID 61284173

IUPAC6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid
SMILESCN1CCC(Oc2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C11H15N3O3/c1-14-6-4-8(5-7-14)17-10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyPUNPFYWUXZOGFN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.65
Rot. Bonds3

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

6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid (PubChem CID 61284173) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid
PubChem CID61284173
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid
SMILESCN1CCC(Oc2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C11H15N3O3/c1-14-6-4-8(5-7-14)17-10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyPUNPFYWUXZOGFN-UHFFFAOYSA-N
XLogP0.65
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid?
The IUPAC name of 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid (CID 61284173) is 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid is CN1CCC(Oc2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid?
The InChIKey is PUNPFYWUXZOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-6-4-8(5-7-14)17-10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid?
6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)oxypyridazine-3-carboxylic acid is sourced from PubChem (CID 61284173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).