![N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine structure](/static/products/894/894757-80-3.png)
N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine
TL;DR: N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine (CAS 894757-80-3) is a chemical compound with molecular formula C13H17N5 and molecular weight 243.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine, AN-465/43421997, N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-4-amine, N-(4-pyrrolidin-1-ylbenzyl)-4H-1,2,4-triazol-4-amine, N-[4-(1-pyrrolidinyl)benzyl]-N-(4H-1,2,4-triazol-4-yl)amine
| Molecular Formula | C13H17N5 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 1.622 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.14839 |
| Heavy Atoms | 18 |
| Complexity | 470.59253 |
Chemical Identifiers
| CAS Number | 894757-80-3 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)CNN3C=NN=C3 |
Product Overview
N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine (CAS 894757-80-3), with molecular formula C13H17N5 and molecular weight 243.15 g/mol. IUPAC: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine
Property Insights of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 1.622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 45.98 Ų, N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine has 1 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 N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine is 894757-80-3.
What is the molecular formula of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine is C13H17N5.
What is the molecular weight of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine is 243.15 g/mol.
Where can I buy N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(pyrrolidin-1-yl)benzyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.