5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

C16H18BrN7 — CID 166601229

IUPAC5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(N2CCN(c3ncc(Br)cc3C#N)CC2)nn1
InChIInChI=1S/C16H18BrN7/c1-22(2)14-3-4-15(21-20-14)23-5-7-24(8-6-23)16-12(10-18)9-13(17)11-19-16/h3-4,9,11H,5-8H2,1-2H3
InChIKeySZFCULPEOUNDKT-UHFFFAOYSA-N
MW388.27 g/mol
LogP1.90
Rot. Bonds3

About 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 166601229) has the molecular formula C16H18BrN7 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID166601229
Molecular FormulaC16H18BrN7
Molecular Weight388.27 g/mol
Exact Mass387.08
IUPAC Name5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN(C)c1ccc(N2CCN(c3ncc(Br)cc3C#N)CC2)nn1
InChIInChI=1S/C16H18BrN7/c1-22(2)14-3-4-15(21-20-14)23-5-7-24(8-6-23)16-12(10-18)9-13(17)11-19-16/h3-4,9,11H,5-8H2,1-2H3
InChIKeySZFCULPEOUNDKT-UHFFFAOYSA-N
XLogP1.90
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 166601229) is 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is CN(C)c1ccc(N2CCN(c3ncc(Br)cc3C#N)CC2)nn1.
What is the InChIKey of 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SZFCULPEOUNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN7/c1-22(2)14-3-4-15(21-20-14)23-5-7-24(8-6-23)16-12(10-18)9-13(17)11-19-16/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 388.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166601229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).