4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one

C14H15BrFN3O — CID 133303767

IUPAC4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(CCc1ccc(F)cc1)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-18(8-7-10-3-5-11(16)6-4-10)12-9-17-19(2)14(20)13(12)15/h3-6,9H,7-8H2,1-2H3
InChIKeyBFVUPBXRUJVGSJ-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.36
Rot. Bonds4

About 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one

4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one (PubChem CID 133303767) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one
PubChem CID133303767
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(CCc1ccc(F)cc1)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C14H15BrFN3O/c1-18(8-7-10-3-5-11(16)6-4-10)12-9-17-19(2)14(20)13(12)15/h3-6,9H,7-8H2,1-2H3
InChIKeyBFVUPBXRUJVGSJ-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]propanoic acid
CID 122059457
4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302962
4-bromo-5-[3-(4-chlorophenoxy)propyl-methylamino]-2-methylpyridazin-3-one
CID 133303685
5-[2-aminoethyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 106511811
4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302816
5-[3-aminopropyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 107368438
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
CID 133303134
4-chloro-5-[(3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 33287328
5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114447043
4-bromo-2-methyl-5-[methyl-(4-methylcyclohexyl)amino]pyridazin-3-one
CID 133302978
5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
CID 114445933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one (CID 133303767) is 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one is CN(CCc1ccc(F)cc1)c1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one?
The InChIKey is BFVUPBXRUJVGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-18(8-7-10-3-5-11(16)6-4-10)12-9-17-19(2)14(20)13(12)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one?
4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one has a molecular weight of 340.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).