3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one
TL;DR: 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one (CAS 135445-80-6) is a chemical compound with molecular formula C17H18N6O2 and molecular weight 338.1491 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
Also Known As: 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one, 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3-(4-methoxyphenyl)-9-methyl-6-propyl-, 6,9-Dihydro-9-methyl-6-n-propyl-3-(4-methoxyphenyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one, 3-(4-methoxyphenyl)-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one, 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one
Technical Specifications
| Molecular Formula | C17H18N6O2 |
| Molecular Weight | 338.1491 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1491 Da |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
| SMILES | CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)OC)N(C=N2)C |
| InChIKey | HHZIXKRDVIBAAA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one
Property Insights of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one?
The CAS number of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one is 135445-80-6.
What is the molecular formula of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one?
The molecular formula of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one is C17H18N6O2.
What is the molecular weight of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one?
The molecular weight of 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one is 338.1491 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one?
You can request a quote for 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methoxyphenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.