3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine

C11H16ClN3 — CID 117106139

IUPAC3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
SMILESCN1CCCCC1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-15-7-3-2-4-10(15)8-9-5-6-11(12)14-13-9/h5-6,10H,2-4,7-8H2,1H3
InChIKeyCDYXWWIXOFKYDG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.16
Rot. Bonds2

About 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine

3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine (PubChem CID 117106139) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
PubChem CID117106139
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
SMILESCN1CCCCC1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-15-7-3-2-4-10(15)8-9-5-6-11(12)14-13-9/h5-6,10H,2-4,7-8H2,1H3
InChIKeyCDYXWWIXOFKYDG-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
[6-[(1-methylpiperidin-2-yl)methoxy]pyridazin-3-yl]methanol
CID 65467681
6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129973
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine (CID 117106139) is 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine is CN1CCCCC1Cc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The InChIKey is CDYXWWIXOFKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15-7-3-2-4-10(15)8-9-5-6-11(12)14-13-9/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine has a molecular weight of 225.72 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine is sourced from PubChem (CID 117106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).