W3G

pyridazin-3(2H)-one

Created:	2020-09-24
Last modified:	2021-01-13

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6 entries where W3G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

2D diagram of W3G

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Chemical Component Summary
Name	pyridazin-3(2H)-one
Systematic Name (OpenEye OEToolkits)	1~{H}-pyridazin-6-one
Formula	C₄ H₄ N₂ O
Molecular Weight	96.087
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1N=CC=CC1=O
SMILES	CACTVS	3.385	O=C1NN=CC=C1
SMILES	OpenEye OEToolkits	2.0.7	C1=CC(=O)NN=C1
Canonical SMILES	CACTVS	3.385	O=C1NN=CC=C1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=CC(=O)NN=C1
InChI	InChI	1.03	InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChIKey	InChI	1.03	AAILEWXSEQLMNI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68153
ChEMBL	CHEMBL3228881

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.