Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate
TL;DR: Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate (CAS 297149-37-2) is a chemical compound with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Also Known As: butyl 3-amino-1H-1,2,4-triazole-5-carboxylate, Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate, Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate #, 1H-1,2,4-Triazole-3-carboxylicacid,5-amino-,butylester, 5-Amino-1H-[1,2,4]triazole-3-carboxylic acid butyl ester
| Molecular Formula | C7H12N4O2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.09602 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 297149-37-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=NC(=NN1)N |
| InChIKey | MJNHDRLUMGNWBJ-UHFFFAOYSA-N |
Product Overview
Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate (CAS 297149-37-2), with molecular formula C7H12N4O2 and molecular weight 184.10 g/mol. IUPAC: butyl 3-amino-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Property Insights of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, Butyl 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 Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The CAS number of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate is 297149-37-2.
What is the molecular formula of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The molecular formula of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate is C7H12N4O2.
What is the molecular weight of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
The molecular weight of Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate is 184.10 g/mol.
Where can I buy Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
You can request a quote for Butyl 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 Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-amino-1H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.