L5V
Summary
| Name: | 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine |
| Formula: | C6 H4 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 181.582 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-6-(1H-1,2,4-triazol-3-yl)pyrazine |
| OpenEye OEToolkits | 1.9.2 | 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2nc(c1ncnn1)cnc2 |
| InChI | InChI | 1.03 | InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12) |
| InChIKey | InChI | 1.03 | KOARCKONUFDYQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cncc(n1)c2n[nH]cn2 |
| SMILES | CACTVS | 3.385 | Clc1cncc(n1)c2n[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(nc(cn1)Cl)c2nc[nH]n2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(nc(cn1)Cl)c2nc[nH]n2 |
