A1AXU
Summary
| Name: | 5-bromo-2-(1H-pyrazol-1-yl)pyrimidine |
| Formula: | C7 H5 Br N4 |
| Formal charge: | 0 |
| Formula weight: | 225.045 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-2-(1H-pyrazol-1-yl)pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-2-pyrazol-1-yl-pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cnc(nc1)n1cccn1 |
| InChI | InChI | 1.06 | InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H |
| InChIKey | InChI | 1.06 | XQBZYQWGCLJVAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cnc(nc1)n2cccn2 |
| SMILES | CACTVS | 3.385 | Brc1cnc(nc1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ncc(cn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ncc(cn2)Br |
