X01
Summary
| Name: | 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile |
| Formula: | C10 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 213.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile |
| OpenEye OEToolkits | 1.7.0 | 3-(4-azanyl-1,3,5-triazin-2-yl)-4-hydroxy-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cc(c(O)cc1)c2ncnc(n2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc(n1)c2cc(ccc2O)C#N |
| SMILES | CACTVS | 3.370 | Nc1ncnc(n1)c2cc(ccc2O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C#N)c2ncnc(n2)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C#N)c2ncnc(n2)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15) |
| InChIKey | InChI | 1.03 | ATWKNNOBDMPYCY-UHFFFAOYSA-N |
