3-[6-(diethylamino)pyridazin-3-yl]benzonitrile

C15H16N4 — CID 71528506

IUPAC3-[6-(diethylamino)pyridazin-3-yl]benzonitrile
SMILESCCN(CC)c1ccc(-c2cccc(C#N)c2)nn1
InChIInChI=1S/C15H16N4/c1-3-19(4-2)15-9-8-14(17-18-15)13-7-5-6-12(10-13)11-16/h5-10H,3-4H2,1-2H3
InChIKeyXFTAXUKNZANNOL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.86
Rot. Bonds4

About 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile

3-[6-(diethylamino)pyridazin-3-yl]benzonitrile (PubChem CID 71528506) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(diethylamino)pyridazin-3-yl]benzonitrile
PubChem CID71528506
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[6-(diethylamino)pyridazin-3-yl]benzonitrile
SMILESCCN(CC)c1ccc(-c2cccc(C#N)c2)nn1
InChIInChI=1S/C15H16N4/c1-3-19(4-2)15-9-8-14(17-18-15)13-7-5-6-12(10-13)11-16/h5-10H,3-4H2,1-2H3
InChIKeyXFTAXUKNZANNOL-UHFFFAOYSA-N
XLogP2.86
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile?
The IUPAC name of 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile (CID 71528506) is 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile?
The canonical SMILES for 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile is CCN(CC)c1ccc(-c2cccc(C#N)c2)nn1.
What is the InChIKey of 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile?
The InChIKey is XFTAXUKNZANNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-19(4-2)15-9-8-14(17-18-15)13-7-5-6-12(10-13)11-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile?
3-[6-(diethylamino)pyridazin-3-yl]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 71528506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).