TT4
Summary
| Name: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine |
| Formula: | C8 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 175.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-phenyl-1H-1,2,4-triazole-3,5-diamine |
| OpenEye OEToolkits | 1.9.2 | 1-phenyl-1,2,4-triazole-3,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)n(nc1N)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H9N5/c9-7-11-8(10)13(12-7)6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12) |
| InChIKey | InChI | 1.03 | QCYJCZJMOAWVPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nn(c2ccccc2)c(N)n1 |
| SMILES | CACTVS | 3.385 | Nc1nn(c2ccccc2)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)n2c(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)n2c(nc(n2)N)N |
