A1JE5
Summary
| Name: | (2~{S})-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine |
| Formula: | C12 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 258.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N6O/c13-8-5-10(16-6-9(8)14)12-17-11(18-19-12)7-1-3-15-4-2-7/h1-4,10,16H,5-6,13-14H2/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | KXAQCSRJNBGLKH-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=C(N)C[C@H](NC1)c2onc(n2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | NC1=C(N)C[CH](NC1)c2onc(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2nc(on2)[C@@H]3CC(=C(CN3)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2nc(on2)C3CC(=C(CN3)N)N |
