5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one

C13H14BrN3O2 — CID 84605771

IUPAC5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2nn(C)c(=O)cc2CN)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-17-12(18)6-9(7-15)13(16-17)8-3-4-11(19-2)10(14)5-8/h3-6H,7,15H2,1-2H3
InChIKeyOHQBGJFVTRTCOK-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.68
Rot. Bonds3

About 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one

5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 84605771) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
PubChem CID84605771
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2nn(C)c(=O)cc2CN)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-17-12(18)6-9(7-15)13(16-17)8-3-4-11(19-2)10(14)5-8/h3-6H,7,15H2,1-2H3
InChIKeyOHQBGJFVTRTCOK-UHFFFAOYSA-N
XLogP1.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-[3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-4-yl]propanoic acid
CID 84611915
[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82134755
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
2-[4-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 84606316
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
4-(2-aminoethyl)-5-(3-bromo-4-methoxyphenyl)-2-methyl-1H-pyrazol-3-one
CID 84606664
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
2-[4-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82135072
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one (CID 84605771) is 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one is COc1ccc(-c2nn(C)c(=O)cc2CN)cc1Br.
What is the InChIKey of 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is OHQBGJFVTRTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-17-12(18)6-9(7-15)13(16-17)8-3-4-11(19-2)10(14)5-8/h3-6H,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one?
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 324.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 84605771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).