1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-
TL;DR: 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- (CAS 116989-31-2) is a chemical compound with molecular formula C17H11N5O and molecular weight 301.09637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-phenyl-8,11,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Also Known As: 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-, 1-Phenyl-6H-1,2,4-triazolo(1',5':1,2)-5-oxopyrimido(5,4-b)indole, 1-Phenyl-1H,6H-1,2,4-triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 5H-(1,2,4)Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1,6-dihydro-1-phenyl-, 1-Phenyl-1,6-dihydro-5H-[1,2,4]triazolo[1',5':1,2]pyrimido[5,4-b]indol-5-one
Technical Specifications
| Molecular Formula | C17H11N5O |
| Molecular Weight | 301.09637 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.09637 Da |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
| SMILES | C1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)NC5=CC=CC=C54 |
| InChIKey | RTXXSBPQLSKQJE-UHFFFAOYSA-N |
Chemical Property Profile of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-
Property Insights of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-. Following Lipinski's Rule of Five, 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-?
The CAS number of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- is 116989-31-2.
What is the molecular formula of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-?
The molecular formula of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- is C17H11N5O.
What is the molecular weight of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-?
The molecular weight of 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- is 301.09637 g/mol.
Where can I buy 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-?
You can request a quote for 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1H,6H-1,2,4-Triazolo(1',5':1,2)pyrimido(5,4-b)indol-5-one, 1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.