1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole (CAS 124337-40-2) is a chemical compound with molecular formula C9H8N6 and molecular weight 200.08104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,2,4-triazol-1-ylmethyl)benzotriazole
Also Known As: 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole, 1-(1,2,4-triazol-1-ylmethyl)benzotriazole, J2.645.541C, AE-018/31858046, 1-(1H-1,2,4-Triazole-1-ylmethyl)-1H-benzotriazole
Technical Specifications
| Molecular Formula | C9H8N6 |
| Molecular Weight | 200.08104 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.08104 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CN3C=NC=N3 |
| InChIKey | JXLABWFCRZXHDW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole is 124337-40-2.
What is the molecular formula of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole is C9H8N6.
What is the molecular weight of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole is 200.08104 g/mol.
Where can I buy 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(1H-1,2,4-Triazol-1-ylmethyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.