TL;DR: 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)- (CAS 126861-34-5) is a chemical compound with molecular formula C15H13N5O2 and molecular weight 295.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-propan-2-yloxy-2,10,12,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,11,14,16-heptaen-9-one
Also Known As: 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)-, 9-(1-Methylethoxy)-1,2,3-triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-[(Propan-2-yl)oxy][1,2,3]triazolo[4',5':5,6]pyrido[2,1-b]quinazolin-11(2H)-one
| Molecular Formula | C15H13N5O2 |
| Molecular Weight | 295.10693 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.10693 Da |
| Heavy Atoms | 22 |
| Complexity | 532.0 |
| SMILES | CC(C)OC1=CC2=C(C=C1)N=C3C=CC4=NNN=C4N3C2=O |
| InChIKey | ZFXXWRQKLIAZGP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)-. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)-. Following Lipinski's Rule of Five, 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)- is 126861-34-5.
The molecular formula of 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)- is C15H13N5O2.
The molecular weight of 1,2,3-Triazolo(4',5':5,6)pyrido(2,1-b)quinazolin-11(1H)-one, 9-(1-methylethoxy)- is 295.10693 g/mol.
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