9KQ
Summary
| Name: | 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline |
| Formula: | C16 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 273.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-phenyl-4-(4H-1,2,4-triazol-4-yl)quinazoline |
| OpenEye OEToolkits | 1.7.6 | 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(c2ccccc12)n3cnnc3)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H |
| InChIKey | InChI | 1.03 | PNPWQEYBCDBCSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 |
| SMILES | CACTVS | 3.370 | c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4 |
