WUG

1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine

Created:	2020-11-17
Last modified:	2020-11-25

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1 entries where WUG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of WUG

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Chemical Component Summary
Name	1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine
Systematic Name (OpenEye OEToolkits)	(2,4-dimethyl-1~{H}-imidazol-5-yl)methanamine
Formula	C₆ H₁₁ N₃
Molecular Weight	125.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1c(CN)nc(n1)C
SMILES	CACTVS	3.385	Cc1[nH]c(CN)c(C)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1c([nH]c(n1)C)CN
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(CN)c(C)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c([nH]c(n1)C)CN
InChI	InChI	1.03	InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
InChIKey	InChI	1.03	GEZOFSFHYQGWNK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	82373820

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.