A1AYQ
Summary
| Name: | (4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine |
| Formula: | C8 H8 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 181.622 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc2nnc(CC)n12 |
| InChI | InChI | 1.06 | InChI=1S/C8H8ClN3/c1-2-7-10-11-8-5-3-4-6(9)12(7)8/h3-5H,2H2,1H3 |
| InChIKey | InChI | 1.06 | RGZGODCNISGVLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nnc2cccc(Cl)n12 |
| SMILES | CACTVS | 3.385 | CCc1nnc2cccc(Cl)n12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nnc2n1c(ccc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nnc2n1c(ccc2)Cl |
