3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
TL;DR: 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole (CAS 56436-29-4) is a chemical compound with molecular formula C4H9N5 and molecular weight 127.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
Also Known As: Iem 759, 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine, 3-(2-aminoethyl)-1H-1,2,4-triazol-5-amine, 3-Amino-5-(2-aminoethyl)-1H-1,2,4-triazole, ZERO/005190
| Molecular Formula | C4H9N5 |
|---|---|
| Molecular Weight | 127.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.08579 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 56436-29-4 |
|---|---|
| SMILES | C(CN)C1=NC(=NN1)N |
| InChIKey | GNNXUWBCKBBJHF-UHFFFAOYSA-N |
Product Overview
3-(Beta-aminoethyl)-5-amino-1,2,4-triazole (CAS 56436-29-4), with molecular formula C4H9N5 and molecular weight 127.09 g/mol. IUPAC: 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
Property Insights of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
The XLogP value of -1.0 indicates that 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole has 3 hydrogen bond donor(s) and 4 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 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole?
The CAS number of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole is 56436-29-4.
What is the molecular formula of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole?
The molecular formula of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole is C4H9N5.
What is the molecular weight of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole?
The molecular weight of 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole is 127.09 g/mol.
Where can I buy 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole?
You can request a quote for 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.