3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine

C13H20ClN3 — CID 55167380

IUPAC3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCN(c2nnc(Cl)c(C)c2C)CC1
InChIInChI=1S/C13H20ClN3/c1-4-11-5-7-17(8-6-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyJBSVBTDWHQGHRG-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.37
Rot. Bonds2

About 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine

3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine (PubChem CID 55167380) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
PubChem CID55167380
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCN(c2nnc(Cl)c(C)c2C)CC1
InChIInChI=1S/C13H20ClN3/c1-4-11-5-7-17(8-6-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyJBSVBTDWHQGHRG-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine (CID 55167380) is 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine is CCC1CCN(c2nnc(Cl)c(C)c2C)CC1.
What is the InChIKey of 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The InChIKey is JBSVBTDWHQGHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-11-5-7-17(8-6-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine has a molecular weight of 253.78 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-ethylpiperidin-1-yl)-4,5-dimethylpyridazine is sourced from PubChem (CID 55167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).