A1CFG

4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of A1CFG

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Chemical Component Summary
Name	4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one
Systematic Name (OpenEye OEToolkits)	1-[(2-fluorophenyl)methyl]-2,6-dihydropyrazin-3-one
Formula	C₁₁ H₁₁ F N₂ O
Molecular Weight	206.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1ccccc1CN1CC=NC(=O)C1
SMILES	CACTVS	3.385	Fc1ccccc1CN2CC=NC(=O)C2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)CN2CC=NC(=O)C2)F
Canonical SMILES	CACTVS	3.385	Fc1ccccc1CN2CC=NC(=O)C2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(c(c1)CN2CC=NC(=O)C2)F
InChI	InChI	1.06	InChI=1S/C11H11FN2O/c12-10-4-2-1-3-9(10)7-14-6-5-13-11(15)8-14/h1-5H,6-8H2
InChIKey	InChI	1.06	CFVZNWNMKVRFMY-UHFFFAOYSA-N

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.