A1A3Q
Summary
| Name: | N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide |
| Formula: | C10 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 204.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1~{S})-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)NC(C)c1nnc2ccccn21 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O/c1-7(11-8(2)15)10-13-12-9-5-3-4-6-14(9)10/h3-7H,1-2H3,(H,11,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | VMFJFKMORNSDKQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(C)=O)c1nnc2ccccn12 |
| SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)c1nnc2ccccn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](c1nnc2n1cccc2)NC(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1nnc2n1cccc2)NC(=O)C |
