QBM
Summary
| Name: | 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol |
| Formula: | C7 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 185.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-3-propylsulfanyl-1,2,4-triazin-5-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCSc1nnc(c(O)n1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11) |
| InChIKey | InChI | 1.03 | FDEFEFHFXLJEDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSc1nnc(C)c(O)n1 |
| SMILES | CACTVS | 3.385 | CCCSc1nnc(C)c(O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCSc1nc(c(nn1)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCSc1nc(c(nn1)C)O |
