5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
TL;DR: 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine (CAS 89311-55-7) is a chemical compound with molecular formula C13H18N6 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
Also Known As: 3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine, 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine, 5-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine, 5-(4-benzylpiperazin-1-yl)-2H-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-3-amine, 5-[4-(phenylmethyl)-1-piperazinyl]-
| Molecular Formula | C13H18N6 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 0.7091 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.1593 |
| Heavy Atoms | 19 |
| Complexity | 514.9395 |
Chemical Identifiers
| CAS Number | 89311-55-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N |
Product Overview
5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine (CAS 89311-55-7), with molecular formula C13H18N6 and molecular weight 258.16 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
Property Insights of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
The XLogP value of 0.7091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine. Following Lipinski's Rule of Five, 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine 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 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine?
The CAS number of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine is 89311-55-7.
What is the molecular formula of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine?
The molecular formula of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine is C13H18N6.
What is the molecular weight of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine?
The molecular weight of 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine is 258.16 g/mol.
Where can I buy 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine?
You can request a quote for 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.