8UY
Summary
| Name: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile |
| Formula: | C13 H8 N4 |
| Formal charge: | 0 |
| Formula weight: | 220.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc3ccc(c2cccc1ncnn12)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H |
| InChIKey | InChI | 1.03 | DEYMFBHALUHGST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cccc3ncnn23 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cccc3ncnn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N |
