A1IDE
Summary
| Name: | 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine |
| Formula: | C15 H13 N6 |
| Formal charge: | 1 |
| Formula weight: | 277.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidin-8-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12N6/c1-20-10-12(8-17-20)14-4-7-21-15(19-14)13(9-18-21)11-2-5-16-6-3-11/h2-10H,1H3/p+1 |
| InChIKey | InChI | 1.06 | YWNBRHOODOCMIR-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc[n+]3c(n2)c(c[nH]3)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc[n+]3c(n2)c(c[nH]3)c4ccncc4 |
