A1A3T
Summary
| Name: | 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine |
| Formula: | C9 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 180.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(1-methylpyrazol-4-yl)methyl]piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1cc(CN2CCNCC2)cn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H16N4/c1-12-7-9(6-11-12)8-13-4-2-10-3-5-13/h6-7,10H,2-5,8H2,1H3 |
| InChIKey | InChI | 1.06 | QQINQSPEYDVMCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CN2CCNCC2)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(CN2CCNCC2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cn1)CN2CCNCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cn1)CN2CCNCC2 |
