5-{[(propan-2-yl)amino]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{[(propan-2-yl)amino]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-{[(propan-2-yl)amino]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0553 |
| Compound Name: | 5-{[(propan-2-yl)amino]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 354.86 |
| Molecular Formula: | C14 H18 N6 O S |
| Salt: | HCl |
| Smiles: | CC(C)NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2565 |
| logD: | -0.9681 |
| logSw: | -2.2969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.802 |
| InChI Key: | DEXLYDCIZAGBNU-UHFFFAOYSA-N |