K4R
Summary
| Name: | 1H-indazole-3-carbonitrile |
| Formula: | C8 H5 N3 |
| Formal charge: | 0 |
| Formula weight: | 143.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-indazole-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-indazole-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1n[NH]c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11) |
| InChIKey | InChI | 1.06 | REHRQXVEAXFIML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1n[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | N#Cc1n[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(n[nH]2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(n[nH]2)C#N |
