49O
Summary
| Name: | 2-(piperazin-1-yl)pyridine-3-carbonitrile |
| Formula: | C10 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 188.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(piperazin-1-yl)pyridine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 2-piperazin-1-ylpyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1c(nccc1)N2CCNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2 |
| InChIKey | InChI | 1.03 | QSMNQUURWIAXAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cccnc1N2CCNCC2 |
| SMILES | CACTVS | 3.385 | N#Cc1cccnc1N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(nc1)N2CCNCC2)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(nc1)N2CCNCC2)C#N |
