39R
Summary
| Name: | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline |
| Formula: | C14 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 236.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline |
| OpenEye OEToolkits | 1.9.2 | 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2nc(c1cc(ccc1)N)nc2c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | KANPBCGVSTVENC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2[nH]c(nn2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2[nH]c(nn2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N |
