N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
TL;DR: N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine (CAS 21614-52-8) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Also Known As: N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine, (Naphthylmethyl)-1,2,4-triazol-4-ylamine, N-(1-naphthylmethyl)-1,2,4-triazol-4-amine, N-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-4-amine, AE-848/14528916
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21614-52-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CNN3C=NN=C3 |
| InChIKey | YLXSQBNWRNCKSA-UHFFFAOYSA-N |
Product Overview
N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine (CAS 21614-52-8), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Property Insights of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 42.7 Ų, N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine has 1 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-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The CAS number of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine is 21614-52-8.
What is the molecular formula of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The molecular formula of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine is C13H12N4.
What is the molecular weight of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The molecular weight of N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine is 224.11 g/mol.
Where can I buy N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
You can request a quote for N-(naphthalen-1-ylmethyl)-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-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.