T4G
Summary
| Name: | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine |
| Formula: | C16 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 277.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine |
| OpenEye OEToolkits | 1.7.6 | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21) |
| InChIKey | InChI | 1.03 | SORFNYWLKDSNNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(cc(C)n1)c2nnc(N)nc2c3ccccc3 |
| SMILES | CACTVS | 3.370 | Cc1cc(cc(C)n1)c2nnc(N)nc2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3 |
