2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide--hydrogen chloride (1/1)
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S638-4453 |
| Compound Name: | 2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C16 H25 N7 O2 |
| Salt: | HCl |
| Smiles: | Cc1c(CN(C)C(CN2C(N3CCC(CCC3=N2)N)=O)=O)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.1056 |
| logD: | -5.0984 |
| logSw: | -0.0157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.347 |
| InChI Key: | WEXMJJGUOLUMIF-ZDUSSCGKSA-N |