4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one

C15H18BrN3O3 — CID 133302816

IUPAC4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(CN(C)c2cnn(C)c(=O)c2Br)c(OC)c1
InChIInChI=1S/C15H18BrN3O3/c1-18(12-8-17-19(2)15(20)14(12)16)9-10-5-6-11(21-3)7-13(10)22-4/h5-8H,9H2,1-4H3
InChIKeyJIENAHAFVIMKPE-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.20
Rot. Bonds5

About 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one

4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one (PubChem CID 133302816) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
PubChem CID133302816
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(CN(C)c2cnn(C)c(=O)c2Br)c(OC)c1
InChIInChI=1S/C15H18BrN3O3/c1-18(12-8-17-19(2)15(20)14(12)16)9-10-5-6-11(21-3)7-13(10)22-4/h5-8H,9H2,1-4H3
InChIKeyJIENAHAFVIMKPE-UHFFFAOYSA-N
XLogP2.20
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302962
4-bromo-5-[3-(2,5-dimethoxyphenyl)propylamino]-2-methylpyridazin-3-one
CID 133403053
N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 121005285
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-4-bromo-1,3-thiazole-5-carbaldehyde
CID 146284828
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
CID 12034241
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
CID 133303798

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one (CID 133302816) is 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one is COc1ccc(CN(C)c2cnn(C)c(=O)c2Br)c(OC)c1.
What is the InChIKey of 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one?
The InChIKey is JIENAHAFVIMKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-18(12-8-17-19(2)15(20)14(12)16)9-10-5-6-11(21-3)7-13(10)22-4/h5-8H,9H2,1-4H3.
What are the key properties of 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one?
4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one has a molecular weight of 368.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).