3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine

C11H16ClN3 — CID 63271499

IUPAC3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine
SMILESCc1c(Cl)nnc(N2CCCCC2)c1C
InChIInChI=1S/C11H16ClN3/c1-8-9(2)11(14-13-10(8)12)15-6-4-3-5-7-15/h3-7H2,1-2H3
InChIKeyGGGSQZSOKRDTLW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.74
Rot. Bonds1

About 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine

3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine (PubChem CID 63271499) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine
PubChem CID63271499
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine
SMILESCc1c(Cl)nnc(N2CCCCC2)c1C
InChIInChI=1S/C11H16ClN3/c1-8-9(2)11(14-13-10(8)12)15-6-4-3-5-7-15/h3-7H2,1-2H3
InChIKeyGGGSQZSOKRDTLW-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4,5-dimethyl-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-4,5-dimethyl-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine (CID 63271499) is 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine is Cc1c(Cl)nnc(N2CCCCC2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine?
The InChIKey is GGGSQZSOKRDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-9(2)11(14-13-10(8)12)15-6-4-3-5-7-15/h3-7H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine?
3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine has a molecular weight of 225.72 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 63271499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).