3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine

C11H16ClN3 — CID 129497823

IUPAC3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
SMILESC[C@@H]1CCC[C@@H](C)N1c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-8-4-3-5-9(2)15(8)11-7-6-10(12)13-14-11/h6-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyIFTGXCZSNFPLOI-RKDXNWHRSA-N
MW225.72 g/mol
LogP2.90
Rot. Bonds1

About 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine

3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine (PubChem CID 129497823) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
PubChem CID129497823
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
SMILESC[C@@H]1CCC[C@@H](C)N1c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-8-4-3-5-9(2)15(8)11-7-6-10(12)13-14-11/h6-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyIFTGXCZSNFPLOI-RKDXNWHRSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61235576
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
CID 82225092
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
CID 131113638
3-(2,6-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
CID 121205979
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129496792
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
2-(6-chloropyridazin-3-yl)-3-methyl-3,4-dihydropyrazol-5-amine
CID 83240367
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine (CID 129497823) is 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine is C[C@@H]1CCC[C@@H](C)N1c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine?
The InChIKey is IFTGXCZSNFPLOI-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-4-3-5-9(2)15(8)11-7-6-10(12)13-14-11/h6-9H,3-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine?
3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine has a molecular weight of 225.72 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine is sourced from PubChem (CID 129497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).