LQG
Summary
| Name: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
| Formula: | C12 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 239.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2 |
| InChIKey | InChI | 1.03 | HNQBUBGQBZCBSB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc2nncn2c1NCc3occc3 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc2nncn2c1NCc3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CNc2c(ccc3n2cnn3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CNc2c(ccc3n2cnn3)C#N |
