3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine

C10H14ClN3O — CID 102972048

IUPAC3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine
SMILESCOC1CCCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C10H14ClN3O/c1-15-9-3-2-4-14(7-9)8-5-10(11)13-12-6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyLSHMJAVDALSUNU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.75
Rot. Bonds2

About 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine

3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine (PubChem CID 102972048) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine
PubChem CID102972048
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine
SMILESCOC1CCCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C10H14ClN3O/c1-15-9-3-2-4-14(7-9)8-5-10(11)13-12-6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyLSHMJAVDALSUNU-UHFFFAOYSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine 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 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine (CID 102972048) is 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine is COC1CCCN(c2cnnc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine?
The InChIKey is LSHMJAVDALSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-9-3-2-4-14(7-9)8-5-10(11)13-12-6-8/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine?
3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine has a molecular weight of 227.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methoxypiperidin-1-yl)pyridazine is sourced from PubChem (CID 102972048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).