FYO

4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile

Created:	2010-08-23
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where FYO is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	5

2D diagram of FYO

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-[5-(2,6-dioxo-3H-pyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1H-pyridine-2-carbonitrile
Formula	C₁₃ H₈ N₆ O₃
Molecular Weight	296.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3
SMILES	CACTVS	3.370	O=C1CC(=CC(=O)N1)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N
SMILES	OpenEye OEToolkits	1.7.0	C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N
Canonical SMILES	CACTVS	3.370	O=C1CC(=CC(=O)N1)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N
InChI	InChI	1.03	InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19)
InChIKey	InChI	1.03	YUNURAZDMHEFGV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867004

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.