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

C12H18ClN3O — CID 102963320

IUPAC3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCOC1CCCN(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)12(15-14-11(8)13)16-6-4-5-10(7-16)17-3/h10H,4-7H2,1-3H3
InChIKeyOOISYBDTQDAPPT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds2

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

3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine (PubChem CID 102963320) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
PubChem CID102963320
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCOC1CCCN(c2nnc(Cl)c(C)c2C)C1
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)12(15-14-11(8)13)16-6-4-5-10(7-16)17-3/h10H,4-7H2,1-3H3
InChIKeyOOISYBDTQDAPPT-UHFFFAOYSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
3-chloro-6-(3-ethylpiperidin-1-yl)-4,5-dimethylpyridazine
CID 63271977
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
3-chloro-4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyridazine
CID 63271412
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole
CID 129414372
3-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-4,5-dimethylpyridazine
CID 63271560
6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine (CID 102963320) is 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine is COC1CCCN(c2nnc(Cl)c(C)c2C)C1.
What is the InChIKey of 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine?
The InChIKey is OOISYBDTQDAPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-9(2)12(15-14-11(8)13)16-6-4-5-10(7-16)17-3/h10H,4-7H2,1-3H3.
What are the key properties of 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine?
3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine has a molecular weight of 255.75 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methoxypiperidin-1-yl)-4,5-dimethylpyridazine is sourced from PubChem (CID 102963320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).