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

C11H16ClN3O — CID 71639909

IUPAC3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine
SMILESClc1ccc(COCC2CCNCC2)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9/h1-2,9,13H,3-8H2
InChIKeyKPNBTPJBKIXZQX-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds4

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

3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine (PubChem CID 71639909) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine
PubChem CID71639909
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine
SMILESClc1ccc(COCC2CCNCC2)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9/h1-2,9,13H,3-8H2
InChIKeyKPNBTPJBKIXZQX-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine (CID 71639909) is 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine is Clc1ccc(COCC2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine?
The InChIKey is KPNBTPJBKIXZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-2-1-10(14-15-11)8-16-7-9-3-5-13-6-4-9/h1-2,9,13H,3-8H2.
What are the key properties of 3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine?
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine has a molecular weight of 241.72 g/mol, XLogP of 1.65, 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 is sourced from PubChem (CID 71639909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).