methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate
TL;DR: methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate (CAS 3641-14-3) is a chemical compound with molecular formula C4H6N4O2 and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Also Known As: Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate, null, methyl 3-amino-1H-1,2,4-triazole-5-carboxylate, Methyl 5-Amino-1,2,4-triazole-3-carboxylate, Methyl 5-amino-4H-[1,2,4]triazole-3-carboxylate
| Molecular Formula | C4H6N4O2 |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.04907 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 3641-14-3 |
|---|---|
| SMILES | COC(=O)C1=NC(=NN1)N |
| InChIKey | OSZNPKRMPBUQLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate (CAS 3641-14-3), with molecular formula C4H6N4O2 and molecular weight 142.05 g/mol. IUPAC: methyl 3-amino-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate
Property Insights of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate
The XLogP value of -0.2 indicates that methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate?
The CAS number of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate is 3641-14-3.
What is the molecular formula of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate?
The molecular formula of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate is C4H6N4O2.
What is the molecular weight of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate?
The molecular weight of methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate is 142.05 g/mol.
Where can I buy methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate?
You can request a quote for methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-1H-(1,2,4)triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.