methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate
TL;DR: methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate (CAS 126620-54-0) is a chemical compound with molecular formula C7H6N4O3 and molecular weight 194.04399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
Also Known As: Methyl 7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyriMidine-5-carboxylate, cis-2-aza-3-oxobicyclo<4.2.0>octane, methyl 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate, methyl 7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate, methyl 7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C7H6N4O3 |
| Molecular Weight | 194.04399 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04399 Da |
| Heavy Atoms | 14 |
| Complexity | 396.0 |
| SMILES | COC(=O)C1=CC(=O)N2C(=N1)N=CN2 |
| InChIKey | ZUSLIXNZOAQABZ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate
Property Insights of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate
The XLogP value of -0.8 indicates that methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate has 1 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 methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate?
The CAS number of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate is 126620-54-0.
What is the molecular formula of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate?
The molecular formula of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate is C7H6N4O3.
What is the molecular weight of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate?
The molecular weight of methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate is 194.04399 g/mol.
Where can I buy methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate?
You can request a quote for methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 7-oxo-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.