GV4

2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Created:	2018-06-01
Last modified:	2019-04-10

Find Related PDB Entry
3 entries where GV4 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	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	5

2D diagram of GV4

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
Systematic Name (OpenEye OEToolkits)	2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
Formula	C₉ H₁₂ N₄ O
Molecular Weight	192.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1nc(C)c(NC(=O)CC#N)c1C
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n(n1)C)C)NC(=O)CC#N
Canonical SMILES	CACTVS	3.385	Cn1nc(C)c(NC(=O)CC#N)c1C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n(n1)C)C)NC(=O)CC#N
InChI	InChI	1.03	InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)
InChIKey	InChI	1.03	GCDMTIQQHYQVGI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2805535

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.