N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine

C15H19BrN4 — CID 116973442

IUPACN'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C15H19BrN4/c1-17-10-3-11-20(2)15-9-8-14(18-19-15)12-4-6-13(16)7-5-12/h4-9,17H,3,10-11H2,1-2H3
InChIKeyMSSSWRIHIMYYRX-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.95
Rot. Bonds6

About N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine

N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116973442) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID116973442
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C15H19BrN4/c1-17-10-3-11-20(2)15-9-8-14(18-19-15)12-4-6-13(16)7-5-12/h4-9,17H,3,10-11H2,1-2H3
InChIKeyMSSSWRIHIMYYRX-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930
N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973452
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
CID 116973651
N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
CID 29135751
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine (CID 116973442) is N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)c1ccc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is MSSSWRIHIMYYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-17-10-3-11-20(2)15-9-8-14(18-19-15)12-4-6-13(16)7-5-12/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine?
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 335.25 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116973442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).