OAM
Summary
| Name: | 4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine |
| Formula: | C13 H18 N8 |
| Formal charge: | 0 |
| Formula weight: | 286.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 1.7.0 | 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-2-methyl-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3cc(c1nnc(n1CCCn2ccnc2)C)c(N)n3C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1ncc(c1N)c2nnc(C)n2CCCn3ccnc3 |
| SMILES | CACTVS | 3.370 | Cn1ncc(c1N)c2nnc(C)n2CCCn3ccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C |
| InChI | InChI | 1.03 | InChI=1S/C13H18N8/c1-10-17-18-13(11-8-16-19(2)12(11)14)21(10)6-3-5-20-7-4-15-9-20/h4,7-9H,3,5-6,14H2,1-2H3 |
| InChIKey | InChI | 1.03 | UZDLBPIOOFFHSD-UHFFFAOYSA-N |
