![5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one structure](/static/products/1088/108800-71-1.webp)
5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one
TL;DR: 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one (CAS 108800-71-1) is a chemical compound with molecular formula C5H6N6O and molecular weight 166.0603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one
Also Known As: NCIOpen2_000402, 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one, 5-amino-6-methyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 5-amino-6-methyl-1H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 5-amino-6-methyl-2,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C5H6N6O |
| Molecular Weight | 166.0603 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.0603 Da |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
| SMILES | CN1C(=O)C2=NNN=C2N=C1N |
| InChIKey | AQPLYUUYLFZMAG-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one
Property Insights of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one
The XLogP value of -1.4 indicates that 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one is 108800-71-1.
What is the molecular formula of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one is C5H6N6O.
What is the molecular weight of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one is 166.0603 g/mol.
Where can I buy 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one?
Yes, CoreyChem provides custom synthesis services for 5-amino-6-methyl-2H-triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.