N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine

C12H13BrN4 — CID 82191433

IUPACN'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-14/h1-6H,7-8,14H2,(H,15,17)
InChIKeyGSNGOLMVYVTKIN-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds4

About N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine

N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 82191433) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
PubChem CID82191433
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC NameN'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
SMILESNCCNc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-14/h1-6H,7-8,14H2,(H,15,17)
InChIKeyGSNGOLMVYVTKIN-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
CID 29135751
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970760
N'-[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970422
2-[[6-(4-chlorophenyl)pyridazin-3-yl]amino]ethanol
CID 116971236
N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970430
N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 82191585
N'-[6-(5-methylfuran-2-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970435
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine (CID 82191433) is N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine is NCCNc1ccc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is GSNGOLMVYVTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-14/h1-6H,7-8,14H2,(H,15,17).
What are the key properties of N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine?
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).