6T5
Summary
| Name: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one |
| Formula: | C13 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 244.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O/c1-8(2)10-4-6-11(7-5-10)14-12-9(3)16-17-13(18)15-12/h4-8H,1-3H3,(H2,14,15,17,18) |
| InChIKey | InChI | 1.03 | SRUWPAISQUBIOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(NC2=NC(=O)NN=C2C)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(NC2=NC(=O)NN=C2C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C |
