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

C13H20ClN3 — CID 63271977

IUPAC3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCCN(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C13H20ClN3/c1-4-11-6-5-7-17(8-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyRRRMOVNJFQNJCH-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.37
Rot. Bonds2

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

3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine (PubChem CID 63271977) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
PubChem CID63271977
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1CCCN(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C13H20ClN3/c1-4-11-6-5-7-17(8-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3
InChIKeyRRRMOVNJFQNJCH-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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Related Compounds

3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
CID 102963320
3-chloro-6-(5-ethyl-2-methylpiperidin-1-yl)-4,5-dimethylpyridazine
CID 112734510
[3-(3-ethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096215
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine
CID 63272131
3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine
CID 63271412
1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
CID 104691054
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 55230644
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
(2R,6S)-4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2,6-dimethylmorpholine
CID 104959765
3-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-4,5-dimethylpyridazine
CID 63271560
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine (CID 63271977) is 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine is CCC1CCCN(c2nnc(Cl)c(C)c2C)C1.
What is the InChIKey of 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The InChIKey is RRRMOVNJFQNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-11-6-5-7-17(8-11)13-10(3)9(2)12(14)15-16-13/h11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine?
3-chloro-6-(3-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-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine is sourced from PubChem (CID 63271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).