WYA

3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

Created:	2020-11-17
Last modified:	2022-07-13

Find Related PDB Entry
1 entries where WYA 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	35
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	16

2D diagram of WYA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Systematic Name (OpenEye OEToolkits)	3-[[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl]-7~{H}-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Formula	C₁₄ H₁₂ N₈ O
Molecular Weight	308.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4
SMILES	CACTVS	3.385	CN(Cc1nnc2n1C=CNC2=O)c3ccc4nccnc4n3
SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1nnc2n1C=CNC2=O)c3ccc4c(n3)nccn4
Canonical SMILES	CACTVS	3.385	CN(Cc1nnc2n1C=CNC2=O)c3ccc4nccnc4n3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1nnc2n1C=CNC2=O)c3ccc4c(n3)nccn4
InChI	InChI	1.03	InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23)
InChIKey	InChI	1.03	SJNJEBJSEDWSOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164575916

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.