7GD

7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Created:	2016-10-19
Last modified:	2020-10-14

Find Related PDB Entry
1 entries where 7GD 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	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	16

2D diagram of 7GD

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Systematic Name (OpenEye OEToolkits)	7-(phenylmethyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula	C₁₂ H₁₁ N₅
Molecular Weight	225.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cccc1)Cc2cc(nc3c2nnn3)N
SMILES	CACTVS	3.385	Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
Canonical SMILES	CACTVS	3.385	Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
InChI	InChI	1.03	InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey	InChI	1.03	SGFFXIGIHATQNC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126650041

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.