A1AJO
Summary
| Name: | 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine |
| Formula: | C6 H6 N4 S |
| Formal charge: | 0 |
| Formula weight: | 166.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine |
| OpenEye OEToolkits | 2.0.7 | 5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nnc([NH]1)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10) |
| InChIKey | InChI | 1.06 | XMLRXJVRTGHHIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]c(nn1)c2sccc2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]c(nn1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2[nH]c(nn2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2[nH]c(nn2)N |
