FYX
Summary
| Name: | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE |
| Synonyms: | 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE |
| Formula: | C13 H8 N6 |
| Formal charge: | 0 |
| Formula weight: | 248.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc3nccc(c2nc(c1ccncc1)nn2)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | N#Cc1cc(ccn1)c2n[nH]c(n2)c3ccncc3 |
| SMILES | CACTVS | 3.341 | N#Cc1cc(ccn1)c2n[nH]c(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19) |
| InChIKey | InChI | 1.03 | UBVZQGOVTLIHLH-UHFFFAOYSA-N |
