2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile

C14H14N4 — CID 6409760

IUPAC2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile
SMILESCN(C)c1ccc(C(C#N)c2ccccc2)nn1
InChIInChI=1S/C14H14N4/c1-18(2)14-9-8-13(16-17-14)12(10-15)11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyGWTNXVVXWAWFKQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.20
Rot. Bonds3

About 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile

2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile (PubChem CID 6409760) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile
PubChem CID6409760
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile
SMILESCN(C)c1ccc(C(C#N)c2ccccc2)nn1
InChIInChI=1S/C14H14N4/c1-18(2)14-9-8-13(16-17-14)12(10-15)11-6-4-3-5-7-11/h3-9,12H,1-2H3
InChIKeyGWTNXVVXWAWFKQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile (CID 6409760) is 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile is CN(C)c1ccc(C(C#N)c2ccccc2)nn1.
What is the InChIKey of 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile?
The InChIKey is GWTNXVVXWAWFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(2)14-9-8-13(16-17-14)12(10-15)11-6-4-3-5-7-11/h3-9,12H,1-2H3.
What are the key properties of 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile?
2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)pyridazin-3-yl]-2-phenylacetonitrile is sourced from PubChem (CID 6409760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).