6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile

C16H14N6O — CID 133418971

IUPAC6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H14N6O/c1-11(18-14-8-7-13(10-17)20-21-14)16-19-15(23-22-16)9-12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,21)
InChIKeyZUSNBQNFBZGPGL-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.50
Rot. Bonds5

About 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile

6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile (PubChem CID 133418971) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
PubChem CID133418971
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H14N6O/c1-11(18-14-8-7-13(10-17)20-21-14)16-19-15(23-22-16)9-12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,21)
InChIKeyZUSNBQNFBZGPGL-UHFFFAOYSA-N
XLogP2.50
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile (CID 133418971) is 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile is CC(Nc1ccc(C#N)nn1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile?
The InChIKey is ZUSNBQNFBZGPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-11(18-14-8-7-13(10-17)20-21-14)16-19-15(23-22-16)9-12-5-3-2-4-6-12/h2-8,11H,9H2,1H3,(H,18,21).
What are the key properties of 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile?
6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).