3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine

C12H18ClN3O — CID 102957006

IUPAC3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(Cl)nn2)CCC1C
InChIInChI=1S/C12H18ClN3O/c1-9-5-6-16(8-11(9)17-2)7-10-3-4-12(13)15-14-10/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXSNMGRAOYDQEKU-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.99
Rot. Bonds3

About 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine

3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine (PubChem CID 102957006) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
PubChem CID102957006
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
SMILESCOC1CN(Cc2ccc(Cl)nn2)CCC1C
InChIInChI=1S/C12H18ClN3O/c1-9-5-6-16(8-11(9)17-2)7-10-3-4-12(13)15-14-10/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXSNMGRAOYDQEKU-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine (CID 102957006) is 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine is COC1CN(Cc2ccc(Cl)nn2)CCC1C.
What is the InChIKey of 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine?
The InChIKey is XSNMGRAOYDQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-5-6-16(8-11(9)17-2)7-10-3-4-12(13)15-14-10/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine?
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine has a molecular weight of 255.75 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine is sourced from PubChem (CID 102957006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).