6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine

C15H18BrN3O — CID 116973160

IUPAC6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2c(C)c(Br)c(C)c(C)c2OC)nn1
InChIInChI=1S/C15H18BrN3O/c1-8-9(2)15(20-5)13(10(3)14(8)16)11-6-7-12(17-4)19-18-11/h6-7H,1-5H3,(H,17,19)
InChIKeyFMGBQWKKABQNRA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.88
Rot. Bonds3

About 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine

6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine (PubChem CID 116973160) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine
PubChem CID116973160
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2c(C)c(Br)c(C)c(C)c2OC)nn1
InChIInChI=1S/C15H18BrN3O/c1-8-9(2)15(20-5)13(10(3)14(8)16)11-6-7-12(17-4)19-18-11/h6-7H,1-5H3,(H,17,19)
InChIKeyFMGBQWKKABQNRA-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine
CID 116903845
6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
CID 62203714
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
N,6-dimethylpyridazin-3-amine;ethane
CID 156845540
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112612
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
6-(3-bromo-4-fluorophenyl)-N-methylpyridazin-3-amine
CID 62914654
6-(2-methoxyquinolin-3-yl)-N-methylpyridazin-3-amine
CID 155918224
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyridazin-3-amine
CID 98016971
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine
CID 82483041
N-methyl-6-(6-methylnaphthalen-2-yl)pyridazin-3-amine
CID 116973158

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine?
The IUPAC name of 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine (CID 116973160) is 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine is CNc1ccc(-c2c(C)c(Br)c(C)c(C)c2OC)nn1.
What is the InChIKey of 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine?
The InChIKey is FMGBQWKKABQNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-8-9(2)15(20-5)13(10(3)14(8)16)11-6-7-12(17-4)19-18-11/h6-7H,1-5H3,(H,17,19).
What are the key properties of 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine?
6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine has a molecular weight of 336.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 116973160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).