5-Benzyl-1,2,4-triazole-3,4-diamine
TL;DR: 5-Benzyl-1,2,4-triazole-3,4-diamine (CAS 36072-62-5) is a chemical compound with molecular formula C9H11N5 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1,2,4-triazole-3,4-diamine
Also Known As: 3-benzyl-4,5-diamino-1,2,3-triazole, 5-benzyl-1,2,4-triazole-3,4-diamine, 5-benzyl-4H-1,2,4-triazole-3,4-diamine, J2.003.765B
| Molecular Formula | C9H11N5 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.10144 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 36072-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2N)N |
| InChIKey | QREFEUAJVQZHRI-UHFFFAOYSA-N |
Product Overview
5-Benzyl-1,2,4-triazole-3,4-diamine (CAS 36072-62-5), with molecular formula C9H11N5 and molecular weight 189.10 g/mol. IUPAC: 5-benzyl-1,2,4-triazole-3,4-diamine.
Chemical Property Profile of 5-Benzyl-1,2,4-triazole-3,4-diamine
Property Insights of 5-Benzyl-1,2,4-triazole-3,4-diamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-1,2,4-triazole-3,4-diamine. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-1,2,4-triazole-3,4-diamine. Following Lipinski's Rule of Five, 5-Benzyl-1,2,4-triazole-3,4-diamine has 2 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 5-Benzyl-1,2,4-triazole-3,4-diamine?
The CAS number of 5-Benzyl-1,2,4-triazole-3,4-diamine is 36072-62-5.
What is the molecular formula of 5-Benzyl-1,2,4-triazole-3,4-diamine?
The molecular formula of 5-Benzyl-1,2,4-triazole-3,4-diamine is C9H11N5.
What is the molecular weight of 5-Benzyl-1,2,4-triazole-3,4-diamine?
The molecular weight of 5-Benzyl-1,2,4-triazole-3,4-diamine is 189.10 g/mol.
Where can I buy 5-Benzyl-1,2,4-triazole-3,4-diamine?
You can request a quote for 5-Benzyl-1,2,4-triazole-3,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1,2,4-triazole-3,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1,2,4-triazole-3,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.