3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine

C14H22ClN3 — CID 112734510

IUPAC3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCC(C)N(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C14H22ClN3/c1-5-12-7-6-9(2)18(8-12)14-11(4)10(3)13(15)16-17-14/h9,12H,5-8H2,1-4H3
InChIKeyCTPHGAPPBKXCSA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine

3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine (PubChem CID 112734510) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine
PubChem CID112734510
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCC(C)N(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C14H22ClN3/c1-5-12-7-6-9(2)18(8-12)14-11(4)10(3)13(15)16-17-14/h9,12H,5-8H2,1-4H3
InChIKeyCTPHGAPPBKXCSA-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine (CID 112734510) is 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine is CCC1CCC(C)N(c2nnc(Cl)c(C)c2C)C1.
What is the InChIKey of 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine?
The InChIKey is CTPHGAPPBKXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-12-7-6-9(2)18(8-12)14-11(4)10(3)13(15)16-17-14/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine?
3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine has a molecular weight of 267.80 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine is sourced from PubChem (CID 112734510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).