3D8
Summary
| Name: | N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| Formula: | C11 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 211.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| OpenEye OEToolkits | 1.9.2 | N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2cccn2nc1)Nc3cccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15) |
| InChIKey | InChI | 1.03 | KTWGHBNFKBORPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N(c1cccnc1)c2ncnn3cccc23 |
| SMILES | CACTVS | 3.385 | N(c1cccnc1)c2ncnn3cccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)Nc2c3cccn3ncn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)Nc2c3cccn3ncn2 |
