KAT
Summary
| Name: | (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone |
| Formula: | C13 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 257.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | (4-phenylpiperazin-1-yl)-(1,2,3-triazol-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(CCN(C1)C(n2ccnn2)=O)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N5O/c19-13(18-7-6-14-15-18)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2 |
| InChIKey | InChI | 1.03 | ILKSIXGCKDCMDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCN(CC1)c2ccccc2)n3ccnn3 |
| SMILES | CACTVS | 3.385 | O=C(N1CCN(CC1)c2ccccc2)n3ccnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 |
