7GD

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Summary

Name:7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:C12 H11 N5
Formal charge:0
Molecular weight:225.249 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
OpenEye OEToolkits2.0.67-(phenylmethyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(cccc1)Cc2cc(nc3c2nnn3)N
InChIInChI1.03InChI=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)
InChIKeyInChI1.03SGFFXIGIHATQNC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
SMILESCACTVS3.385Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
170172
PDB entries from 2020-10-21