![5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine structure](/static/products/4778/477851-41-5.webp)
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine
TL;DR: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine (CAS 477851-41-5) is a chemical compound with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
Also Known As: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine, 11C-014, 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-3-amine, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine, 5-4-(1,3-Benzodioxol-5-ylmethyl)piperazino-1H-1,2,4-triazol-3-amine
| Molecular Formula | C14H18N6O2 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 0.4378 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1491 |
| Heavy Atoms | 22 |
| Complexity | 665.1027 |
Chemical Identifiers
| CAS Number | 477851-41-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NNC(=N4)N |
Product Overview
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine (CAS 477851-41-5), with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine
Property Insights of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine
The XLogP value of 0.4378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine?
The CAS number of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine is 477851-41-5.
What is the molecular formula of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine?
The molecular formula of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine is C14H18N6O2.
What is the molecular weight of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine?
The molecular weight of 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine is 302.15 g/mol.
Where can I buy 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine?
You can request a quote for 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.