2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]acetamide--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-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]acetamide--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-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S638-4356 |
| 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-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 411.93 |
| Molecular Formula: | C18 H29 N7 O2 |
| Salt: | HCl |
| Smiles: | CCCn1c(CN(C)C(CN2C(N3CCC(CCC3=N2)N)=O)=O)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2887 |
| logD: | -4.2815 |
| logSw: | -0.4547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.68 |
| InChI Key: | JJTYZSFUZJVICO-AWEZNQCLSA-N |