2-methyl-7-(pyrimidine-4-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-(pyrimidine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-(pyrimidine-4-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: | S636-5011 |
| Compound Name: | 2-methyl-7-(pyrimidine-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C12 H14 N6 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6614 |
| logD: | -0.6614 |
| logSw: | -0.6656 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.113 |
| InChI Key: | HIYIKEJGDBPTSF-UHFFFAOYSA-N |