5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine
TL;DR: 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine (CAS 13976-19-7) is a chemical compound with molecular formula C12H12N6 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine
Also Known As: (5E)-5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-amine, 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine, 5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-amine, (4E)-4-(2-Benzyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)-4H-imidazol-5-amine
| Molecular Formula | C12H12N6 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.11235 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 13976-19-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC=N2)C3=C(N=CN3)N |
| InChIKey | RMGBBTROLRMKCO-UHFFFAOYSA-N |
Product Overview
5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine (CAS 13976-19-7), with molecular formula C12H12N6 and molecular weight 240.11 g/mol. IUPAC: 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine.
Chemical Property Profile of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine
Property Insights of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine. Following Lipinski's Rule of Five, 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine has 2 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 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine?
The CAS number of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine is 13976-19-7.
What is the molecular formula of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine?
The molecular formula of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine is C12H12N6.
What is the molecular weight of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine?
The molecular weight of 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine is 240.11 g/mol.
Where can I buy 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine?
You can request a quote for 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.