TL;DR: Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- (CAS 120873-28-1) is a chemical compound with molecular formula C9H8ClN5O2 and molecular weight 253.03665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)acetamide
Also Known As: Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)-, Acetamide, 2-chloro-N-(4,5-dihydro-5-oxo-1H-pyrido(2,3-e)(1,2,4)triazepin-2-yl)-, 2-Chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)acetamide, 2-chloro-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)acetamide, 2-Chloro-N-(5-oxo-4,5-dihydro-3H-pyrido[2,3-e][1,2,4]triazepin-2-yl)acetamide
| Molecular Formula | C9H8ClN5O2 |
| Molecular Weight | 253.03665 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.03665 Da |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
| SMILES | C1=CC2=C(N=C1)N=C(NNC2=O)NC(=O)CCl |
| InChIKey | SFLFNVZYOXASHI-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)-. Following Lipinski's Rule of Five, Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- is 120873-28-1.
The molecular formula of Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- is C9H8ClN5O2.
The molecular weight of Acetamide, 2-chloro-N-(3,4-dihydro-5-oxo-5H-pyrido(2,3-e)(1,3,4)triazepin-2-yl)- is 253.03665 g/mol.
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