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

C12H18ClN3O — CID 71639917

IUPAC3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine
SMILESClc1ccc(COCCC2CCNCC2)nn1
InChIInChI=1S/C12H18ClN3O/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
InChIKeyDUODZQBXHLXVIS-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.04
Rot. Bonds5

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

3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine (PubChem CID 71639917) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine
PubChem CID71639917
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine
SMILESClc1ccc(COCCC2CCNCC2)nn1
InChIInChI=1S/C12H18ClN3O/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
InChIKeyDUODZQBXHLXVIS-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine (CID 71639917) is 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine is Clc1ccc(COCCC2CCNCC2)nn1.
What is the InChIKey of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine?
The InChIKey is DUODZQBXHLXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/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.
What are the key properties of 3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine?
3-chloro-6-(2-piperidin-4-ylethoxymethyl)pyridazine has a molecular weight of 255.75 g/mol, XLogP of 2.04, 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 is sourced from PubChem (CID 71639917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).