6-(4-ethylanilino)pyridazine-3-carbonitrile

C13H12N4 — CID 163350318

IUPAC6-(4-ethylanilino)pyridazine-3-carbonitrile
SMILESCCc1ccc(Nc2ccc(C#N)nn2)cc1
InChIInChI=1S/C13H12N4/c1-2-10-3-5-11(6-4-10)15-13-8-7-12(9-14)16-17-13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyZTFMLCDVZQPGPA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.65
Rot. Bonds3

About 6-(4-ethylanilino)pyridazine-3-carbonitrile

6-(4-ethylanilino)pyridazine-3-carbonitrile (PubChem CID 163350318) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-(4-ethylanilino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylanilino)pyridazine-3-carbonitrile
PubChem CID163350318
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-(4-ethylanilino)pyridazine-3-carbonitrile
SMILESCCc1ccc(Nc2ccc(C#N)nn2)cc1
InChIInChI=1S/C13H12N4/c1-2-10-3-5-11(6-4-10)15-13-8-7-12(9-14)16-17-13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyZTFMLCDVZQPGPA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(4-ethylanilino)pyridazine-3-carbonitrile (CID 163350318) is 6-(4-ethylanilino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethylanilino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(4-ethylanilino)pyridazine-3-carbonitrile is CCc1ccc(Nc2ccc(C#N)nn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)pyridazine-3-carbonitrile?
The InChIKey is ZTFMLCDVZQPGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-10-3-5-11(6-4-10)15-13-8-7-12(9-14)16-17-13/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of 6-(4-ethylanilino)pyridazine-3-carbonitrile?
6-(4-ethylanilino)pyridazine-3-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)pyridazine-3-carbonitrile is sourced from PubChem (CID 163350318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).