25K
Summary
| Name: | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Formula: | C15 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 267.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| OpenEye OEToolkits | 1.7.6 | N,5-dimethyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(cc(N(Cc1ccc(cc1)C)C)n3ncnc23)C |
| InChI | InChI | 1.03 | InChI=1S/C15H17N5/c1-11-4-6-13(7-5-11)9-19(3)14-8-12(2)18-15-16-10-17-20(14)15/h4-8,10H,9H2,1-3H3 |
| InChIKey | InChI | 1.03 | JAEVUMCKPBRDAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(C)cc1)c2cc(C)nc3ncnn23 |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(C)cc1)c2cc(C)nc3ncnn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C |
