3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride

C11H17Cl2N3O — CID 71639908

IUPAC3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(COCC2CCNCC2)nn1
InChIInChI=1S/C11H16ClN3O.ClH/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9;/h1-2,9,13H,3-8H2;1H
InChIKeyHNVVDZOOKZXPHV-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.07
Rot. Bonds4

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

3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride (PubChem CID 71639908) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride.

Molecular Properties

Compound Name3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
PubChem CID71639908
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
SMILESCl.Clc1ccc(COCC2CCNCC2)nn1
InChIInChI=1S/C11H16ClN3O.ClH/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9;/h1-2,9,13H,3-8H2;1H
InChIKeyHNVVDZOOKZXPHV-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-(piperidin-4-ylmethoxymethyl)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-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride?
The IUPAC name of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride (CID 71639908) is 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride.
What is the SMILES notation for 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride?
The canonical SMILES for 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride is Cl.Clc1ccc(COCC2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride?
The InChIKey is HNVVDZOOKZXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O.ClH/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9;/h1-2,9,13H,3-8H2;1H.
What are the key properties of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride?
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride is sourced from PubChem (CID 71639908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).