propyl 5-amino-1H-1,2,4-triazole-3-carboxylate
TL;DR: propyl 5-amino-1H-1,2,4-triazole-3-carboxylate (CAS 297149-39-4) is a chemical compound with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Also Known As: BAS 00112533, propyl 5-amino-1H-1,2,4-triazole-3-carboxylate, propyl 3-amino-1H-1,2,4-triazole-5-carboxylate, propyl3-amino-1H-1,2,4-triazole-5-carboxylate, 1H-1,2,4-Triazole-3-carboxylicacid,5-amino-,propylester(9CI)
| Molecular Formula | C6H10N4O2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | -0.0463 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.08037 |
| Heavy Atoms | 12 |
| Complexity | 270.26672 |
Chemical Identifiers
| CAS Number | 297149-39-4 |
|---|---|
| SMILES | CCCOC(=O)C1=NC(=NN1)N |
Product Overview
propyl 5-amino-1H-1,2,4-triazole-3-carboxylate (CAS 297149-39-4), with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol. IUPAC: propyl 3-amino-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Property Insights of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate
The XLogP value of -0.0463 indicates that propyl 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 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 5-amino-1H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, propyl 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 propyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The CAS number of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate is 297149-39-4.
What is the molecular formula of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The molecular formula of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate is C6H10N4O2.
What is the molecular weight of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The molecular weight of propyl 5-amino-1H-1,2,4-triazole-3-carboxylate is 170.08 g/mol.
Where can I buy propyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
You can request a quote for propyl 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 propyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 5-amino-1H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.