JF8
Summary
| Name: | 5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile |
| Formula: | C12 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 223.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17) |
| InChIKey | InChI | 1.03 | ALVYLOVBZSBJDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N |
