3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile

C17H20N6 — CID 171326896

IUPAC3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile
SMILESCN(C)c1ccc(N2CCN(c3cccc(C#N)c3)CC2)nn1
InChIInChI=1S/C17H20N6/c1-21(2)16-6-7-17(20-19-16)23-10-8-22(9-11-23)15-5-3-4-14(12-15)13-18/h3-7,12H,8-11H2,1-2H3
InChIKeyADXAZJYWTBWABT-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.74
Rot. Bonds3

About 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile

3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile (PubChem CID 171326896) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile
PubChem CID171326896
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile
SMILESCN(C)c1ccc(N2CCN(c3cccc(C#N)c3)CC2)nn1
InChIInChI=1S/C17H20N6/c1-21(2)16-6-7-17(20-19-16)23-10-8-22(9-11-23)15-5-3-4-14(12-15)13-18/h3-7,12H,8-11H2,1-2H3
InChIKeyADXAZJYWTBWABT-UHFFFAOYSA-N
XLogP1.74
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile (CID 171326896) is 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile is CN(C)c1ccc(N2CCN(c3cccc(C#N)c3)CC2)nn1.
What is the InChIKey of 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
The InChIKey is ADXAZJYWTBWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-21(2)16-6-7-17(20-19-16)23-10-8-22(9-11-23)15-5-3-4-14(12-15)13-18/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile?
3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile has a molecular weight of 308.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 171326896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).