7GD
Summary
| Name: | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| OpenEye OEToolkits | 2.0.6 | 7-(phenylmethyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cccc1)Cc2cc(nc3c2nnn3)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 |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(Cc2ccccc2)c3[nH]nnc3n1 |
| SMILES | CACTVS | 3.385 | Nc1cc(Cc2ccccc2)c3[nH]nnc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N |
