4GX
Summary
| Name: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone |
| Formula: | C13 H16 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone |
| OpenEye OEToolkits | 1.9.2 | (4-azanyl-1,2,5-oxadiazol-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17) |
| InChIKey | InChI | 1.03 | IBQSBIBAFXRXMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nonc1C(=O)N2CCN(CC2)Cc3ccccn3 |
| SMILES | CACTVS | 3.385 | Nc1nonc1C(=O)N2CCN(CC2)Cc3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N |
