1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
TL;DR: 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine (CAS 713095-94-4) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]butan-1-one
Also Known As: BAS 06344210, 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine, 1-(5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-butan-1-one, AE-848/42278495, 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]butan-1-one
| Molecular Formula | C10H12N4O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.09602 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 713095-94-4 |
|---|---|
| SMILES | CCCC(=O)N1C(=NC(=N1)C2=CC=CO2)N |
| InChIKey | RQPNLQXHGVVKRW-UHFFFAOYSA-N |
Product Overview
1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine (CAS 713095-94-4), with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol. IUPAC: 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]butan-1-one.
Chemical Property Profile of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
Property Insights of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine has 1 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 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine is 713095-94-4.
What is the molecular formula of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine is C10H12N4O2.
What is the molecular weight of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine is 220.10 g/mol.
Where can I buy 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-butyryl-3-(2-furyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.