5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-
TL;DR: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- (CAS 135445-87-3) is a chemical compound with molecular formula C16H15N7O3 and molecular weight 353.12363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-3-(4-nitrophenyl)-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-, 9-Methyl-3-(4-nitrophenyl)-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-Dihydro-9-methyl-6-n-propyl-3-(4-nitrophenyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one, 9-methyl-3-(4-nitrophenyl)-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one, 9-Methyl-3-(4-nitrophenyl)-6-propyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one
Technical Specifications
| Molecular Formula | C16H15N7O3 |
| Molecular Weight | 353.12363 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.12363 Da |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C=N2)C |
| InChIKey | IUSPKCFMVOAGNX-UHFFFAOYSA-N |
Chemical Property Profile of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-
Property Insights of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-. Following Lipinski's Rule of Five, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-?
The CAS number of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- is 135445-87-3.
What is the molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-?
The molecular formula of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- is C16H15N7O3.
What is the molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-?
The molecular weight of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- is 353.12363 g/mol.
Where can I buy 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-?
You can request a quote for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl-?
Yes, CoreyChem provides custom synthesis services for 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-(4-nitrophenyl)-6-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.