2-methyl-7-(3-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-methyl-7-(3-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-(3-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0700 |
| Compound Name: | 2-methyl-7-(3-methyl-1H-pyrazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 276.3 |
| Molecular Formula: | C12 H16 N6 O2 |
| Smiles: | Cc1cc(C(N2CCC3=NN(C)C(N3CC2)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | -0.029 |
| logD: | -0.0291 |
| logSw: | -1.181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.49 |
| InChI Key: | KLYTYPXIULMXFB-UHFFFAOYSA-N |