1-Benzylideneamino-1,2,4-triazole
TL;DR: 1-Benzylideneamino-1,2,4-triazole (CAS 122583-48-6) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-N-(1,2,4-triazol-1-yl)methanimine
Also Known As: 1-benzylideneamino-1,2,4-triazole, 1-(Benzylideneamino)-1,2,4-triazole, 1-phenyl-N-(1,2,4-triazol-1-yl)methanimine
Technical Specifications
| Molecular Formula | C9H8N4 |
| Molecular Weight | 172.07489 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07489 Da |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
| SMILES | C1=CC=C(C=C1)C=NN2C=NC=N2 |
| InChIKey | CXYNAVGOSKIZJQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzylideneamino-1,2,4-triazole
Property Insights of 1-Benzylideneamino-1,2,4-triazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylideneamino-1,2,4-triazole. With a topological polar surface area (TPSA) of 43.1 Ų, 1-Benzylideneamino-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylideneamino-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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-Benzylideneamino-1,2,4-triazole?
The CAS number of 1-Benzylideneamino-1,2,4-triazole is 122583-48-6.
What is the molecular formula of 1-Benzylideneamino-1,2,4-triazole?
The molecular formula of 1-Benzylideneamino-1,2,4-triazole is C9H8N4.
What is the molecular weight of 1-Benzylideneamino-1,2,4-triazole?
The molecular weight of 1-Benzylideneamino-1,2,4-triazole is 172.07489 g/mol.
Where can I buy 1-Benzylideneamino-1,2,4-triazole?
You can request a quote for 1-Benzylideneamino-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzylideneamino-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-Benzylideneamino-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.