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

C15H11ClN6O — CID 133418962

IUPAC6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN6O/c1-9(18-13-7-6-12(8-17)20-21-13)14-19-15(23-22-14)10-2-4-11(16)5-3-10/h2-7,9H,1H3,(H,18,21)
InChIKeyKNYRGCDZOZVGMJ-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.22
Rot. Bonds4

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

6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile (PubChem CID 133418962) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile
PubChem CID133418962
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H11ClN6O/c1-9(18-13-7-6-12(8-17)20-21-13)14-19-15(23-22-14)10-2-4-11(16)5-3-10/h2-7,9H,1H3,(H,18,21)
InChIKeyKNYRGCDZOZVGMJ-UHFFFAOYSA-N
XLogP3.22
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]pyrazine-2-carbonitrile
CID 124571734
6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
CID 133418971
4-[[[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]amino]methyl]benzonitrile
CID 96564419
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354
(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine
CID 99816062
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820192
2-fluoro-6-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 133364002

Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile (CID 133418962) is 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile is CC(Nc1ccc(C#N)nn1)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile?
The InChIKey is KNYRGCDZOZVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O/c1-9(18-13-7-6-12(8-17)20-21-13)14-19-15(23-22-14)10-2-4-11(16)5-3-10/h2-7,9H,1H3,(H,18,21).
What are the key properties of 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile?
6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile has a molecular weight of 326.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).