IYJ
Summary
| Name: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
| Formula: | C9 H7 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 256.091 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
| OpenEye OEToolkits | 2.0.7 | 6-[2,3-bis(chloranyl)phenyl]-1,2,4-triazine-3,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1Cl)c1nnc(N)nc1N |
| InChI | InChI | 1.06 | InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) |
| InChIKey | InChI | 1.06 | PYZRQGJRPPTADH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl |
| SMILES | CACTVS | 3.385 | Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N |
