4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one

C11H11Br2N3OS — CID 133302962

IUPAC4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(Cc1ccc(Br)s1)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H11Br2N3OS/c1-15(6-7-3-4-9(12)18-7)8-5-14-16(2)11(17)10(8)13/h3-5H,6H2,1-2H3
InChIKeyVMCJMAJWXJONPK-UHFFFAOYSA-N
MW393.10 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one

4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one (PubChem CID 133302962) has the molecular formula C11H11Br2N3OS and a molecular weight of 393.10 g/mol. Its IUPAC name is 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
PubChem CID133302962
Molecular FormulaC11H11Br2N3OS
Molecular Weight393.10 g/mol
Exact Mass390.90
IUPAC Name4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
SMILESCN(Cc1ccc(Br)s1)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H11Br2N3OS/c1-15(6-7-3-4-9(12)18-7)8-5-14-16(2)11(17)10(8)13/h3-5H,6H2,1-2H3
InChIKeyVMCJMAJWXJONPK-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302816
3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]propanoic acid
CID 122059457
4-bromo-5-[2-(4-fluorophenyl)ethyl-methylamino]-2-methylpyridazin-3-one
CID 133303767
4-bromo-5-[3-(4-chlorophenoxy)propyl-methylamino]-2-methylpyridazin-3-one
CID 133303685
4-[(5-bromothiophen-2-yl)methyl-methylamino]benzoic acid
CID 117043131
5-[2-aminoethyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 106511811
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
4-bromo-2-methyl-5-[methyl-(4-methylcyclohexyl)amino]pyridazin-3-one
CID 133302978
5-[3-aminopropyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 107368438
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one (CID 133302962) is 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one is CN(Cc1ccc(Br)s1)c1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one?
The InChIKey is VMCJMAJWXJONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3OS/c1-15(6-7-3-4-9(12)18-7)8-5-14-16(2)11(17)10(8)13/h3-5H,6H2,1-2H3.
What are the key properties of 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one?
4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one has a molecular weight of 393.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133302962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).