3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride

C12H19Cl2N3O — CID 71639916

IUPAC3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(COCCC2CCNCC2)nn1
InChIInChI=1S/C12H18ClN3O.ClH/c13-12-2-1-11(15-16-12)9-17-8-5-10-3-6-14-7-4-10;/h1-2,10,14H,3-9H2;1H
InChIKeyACYAZBUPVFTVEZ-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.46
Rot. Bonds5

About 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride

3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride (PubChem CID 71639916) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride
PubChem CID71639916
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(COCCC2CCNCC2)nn1
InChIInChI=1S/C12H18ClN3O.ClH/c13-12-2-1-11(15-16-12)9-17-8-5-10-3-6-14-7-4-10;/h1-2,10,14H,3-9H2;1H
InChIKeyACYAZBUPVFTVEZ-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride 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-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride?
The IUPAC name of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride (CID 71639916) is 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride is Cl.Clc1ccc(COCCC2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride?
The InChIKey is ACYAZBUPVFTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O.ClH/c13-12-2-1-11(15-16-12)9-17-8-5-10-3-6-14-7-4-10;/h1-2,10,14H,3-9H2;1H.
What are the key properties of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride?
3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine;hydrochloride is sourced from PubChem (CID 71639916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).