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

C16H21BrN4 — CID 29135751

IUPACN-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C16H21BrN4/c1-3-21(4-2)12-11-18-16-10-9-15(19-20-16)13-5-7-14(17)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyJOTRMVIEQFTNFY-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.66
Rot. Bonds7

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

N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 29135751) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID29135751
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC NameN-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C16H21BrN4/c1-3-21(4-2)12-11-18-16-10-9-15(19-20-16)13-5-7-14(17)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyJOTRMVIEQFTNFY-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine (CID 29135751) is N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc(-c2ccc(Br)cc2)nn1.
What is the InChIKey of N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is JOTRMVIEQFTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-3-21(4-2)12-11-18-16-10-9-15(19-20-16)13-5-7-14(17)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine?
N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 349.28 g/mol, XLogP of 3.66, 7 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'-diethylethane-1,2-diamine is sourced from PubChem (CID 29135751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).