8W1
Summary
| Name: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one |
| Formula: | C9 H7 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-7-(trifluoromethyl)-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cn2C=C(C)NC(=O)c2c1 |
| InChI | InChI | 1.03 | InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15) |
| InChIKey | InChI | 1.03 | DYHQRCYZMPRXNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F |
