3-chloro-6-piperidin-1-ylpyridazine

C9H12ClN3 — CID 558392

IUPAC3-chloro-6-piperidin-1-ylpyridazine
SMILESClc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C9H12ClN3/c10-8-4-5-9(12-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyLCZPIRFDMBEGAZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.12
Rot. Bonds1

About 3-chloro-6-piperidin-1-ylpyridazine

3-chloro-6-piperidin-1-ylpyridazine (PubChem CID 558392) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-6-piperidin-1-ylpyridazine
PubChem CID558392
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-6-piperidin-1-ylpyridazine
SMILESClc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C9H12ClN3/c10-8-4-5-9(12-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyLCZPIRFDMBEGAZ-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-piperidin-1-ylpyridazine 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-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-chloro-6-piperidin-1-ylpyridazine (CID 558392) is 3-chloro-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-chloro-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-chloro-6-piperidin-1-ylpyridazine is Clc1ccc(N2CCCCC2)nn1.
What is the InChIKey of 3-chloro-6-piperidin-1-ylpyridazine?
The InChIKey is LCZPIRFDMBEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-4-5-9(12-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2.
What are the key properties of 3-chloro-6-piperidin-1-ylpyridazine?
3-chloro-6-piperidin-1-ylpyridazine has a molecular weight of 197.67 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 558392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).