3-[6-(ethylamino)pyridazin-4-yl]benzonitrile

C13H12N4 — CID 11608269

IUPAC3-[6-(ethylamino)pyridazin-4-yl]benzonitrile
SMILESCCNc1cc(-c2cccc(C#N)c2)cnn1
InChIInChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)
InChIKeyFMLVTOVZPUQQCF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.45
Rot. Bonds3

About 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile

3-[6-(ethylamino)pyridazin-4-yl]benzonitrile (PubChem CID 11608269) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(ethylamino)pyridazin-4-yl]benzonitrile
PubChem CID11608269
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-[6-(ethylamino)pyridazin-4-yl]benzonitrile
SMILESCCNc1cc(-c2cccc(C#N)c2)cnn1
InChIInChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)
InChIKeyFMLVTOVZPUQQCF-UHFFFAOYSA-N
XLogP2.45
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile?
The IUPAC name of 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile (CID 11608269) is 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile.
What is the SMILES notation for 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile?
The canonical SMILES for 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile is CCNc1cc(-c2cccc(C#N)c2)cnn1.
What is the InChIKey of 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile?
The InChIKey is FMLVTOVZPUQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17).
What are the key properties of 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile?
3-[6-(ethylamino)pyridazin-4-yl]benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)pyridazin-4-yl]benzonitrile is sourced from PubChem (CID 11608269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).