4HQ
Summary
| Name: | (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone |
| Formula: | C8 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 211.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone |
| OpenEye OEToolkits | 1.9.2 | (4-azanyl-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(C(c1c(non1)N)=O)CCN(CC2)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11) |
| InChIKey | InChI | 1.03 | KQKPEPOSSQPUOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2nonc2N |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2nonc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)C(=O)c2c(non2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)C(=O)c2c(non2)N |
