2-{[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-5-methylpyridine
Chemical Structure Depiction of
2-{[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-5-methylpyridine
2-{[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-5-methylpyridine
Compound characteristics
| Compound ID: | SB32-0118 |
| Compound Name: | 2-{[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-5-methylpyridine |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C16 H23 N5 O |
| Smiles: | Cc1ccc(CN2C[C@@H](COC)[C@@H](C2)c2nc(C)n[nH]2)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2737 |
| logD: | -1.0722 |
| logSw: | -2.0695 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.658 |
| InChI Key: | HXHNZKIXDKFMKP-HIFRSBDPSA-N |