4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine

C12H18BrN3O — CID 117106215

IUPAC4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
SMILESCOc1nnc(CC2CCCCN2C)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-16-6-4-3-5-10(16)7-9-8-11(13)12(17-2)15-14-9/h8,10H,3-7H2,1-2H3
InChIKeyRYBJNXAHVVLQEU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.27
Rot. Bonds3

About 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine

4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine (PubChem CID 117106215) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine.

Molecular Properties

Compound Name4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
PubChem CID117106215
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
SMILESCOc1nnc(CC2CCCCN2C)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-16-6-4-3-5-10(16)7-9-8-11(13)12(17-2)15-14-9/h8,10H,3-7H2,1-2H3
InChIKeyRYBJNXAHVVLQEU-UHFFFAOYSA-N
XLogP2.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
CID 117105528
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
2-[(5-bromo-6-methoxypyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117106203
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 117106079
4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
CID 117104956
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The IUPAC name of 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine (CID 117106215) is 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine.
What is the SMILES notation for 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The canonical SMILES for 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine is COc1nnc(CC2CCCCN2C)cc1Br.
What is the InChIKey of 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
The InChIKey is RYBJNXAHVVLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-16-6-4-3-5-10(16)7-9-8-11(13)12(17-2)15-14-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine?
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine has a molecular weight of 300.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine is sourced from PubChem (CID 117106215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).