N-benzyl-1H-1,2,4-triazol-5-amine
TL;DR: N-benzyl-1H-1,2,4-triazol-5-amine (CAS 5369-93-7) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1H-1,2,4-triazol-5-amine
Also Known As: N-benzyl-1H-1,2,4-triazol-5-amine, N-benzyl-1H-1,2,4-triazol-3-amine, N-benzyl-4H-1,2,4-triazol-3-amine, N-Benzyl-1H-1,2,4-triazole-3-amine, benzyl-(1H-[1,2,4]triazol-3-yl)-amine
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5369-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=NN2 |
| InChIKey | PDTIKKSRGXUEGE-UHFFFAOYSA-N |
Product Overview
N-benzyl-1H-1,2,4-triazol-5-amine (CAS 5369-93-7), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: N-benzyl-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-benzyl-1H-1,2,4-triazol-5-amine
Property Insights of N-benzyl-1H-1,2,4-triazol-5-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1H-1,2,4-triazol-5-amine. With a topological polar surface area (TPSA) of 53.6 Ų, N-benzyl-1H-1,2,4-triazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1H-1,2,4-triazol-5-amine has 2 hydrogen bond donor(s) and 3 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-benzyl-1H-1,2,4-triazol-5-amine?
The CAS number of N-benzyl-1H-1,2,4-triazol-5-amine is 5369-93-7.
What is the molecular formula of N-benzyl-1H-1,2,4-triazol-5-amine?
The molecular formula of N-benzyl-1H-1,2,4-triazol-5-amine is C9H10N4.
What is the molecular weight of N-benzyl-1H-1,2,4-triazol-5-amine?
The molecular weight of N-benzyl-1H-1,2,4-triazol-5-amine is 174.09 g/mol.
Where can I buy N-benzyl-1H-1,2,4-triazol-5-amine?
You can request a quote for N-benzyl-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.