3,5-dichloro-1H-1,2,4-triazole
TL;DR: 3,5-dichloro-1H-1,2,4-triazole (CAS 10327-87-4) is a chemical compound with molecular formula C2HCl2N3 and molecular weight 136.95476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-1H-1,2,4-triazole
Also Known As: 3,5-Dichloro-1H-1,2,4-triazole, s-Triazole, 3,5-dichloro-, sO, DEbHaqBSKfsSP@, 3,2,4-triazole
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HCl2N3 |
| Molecular Weight | 136.95476 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.95476 Da |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
| SMILES | C1(=NC(=NN1)Cl)Cl |
| InChIKey | JNTFFNKMQMJJQZ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-dichloro-1H-1,2,4-triazole
Property Insights of 3,5-dichloro-1H-1,2,4-triazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dichloro-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.6 Ų, 3,5-dichloro-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dichloro-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-dichloro-1H-1,2,4-triazole?
The CAS number of 3,5-dichloro-1H-1,2,4-triazole is 10327-87-4.
What is the molecular formula of 3,5-dichloro-1H-1,2,4-triazole?
The molecular formula of 3,5-dichloro-1H-1,2,4-triazole is C2HCl2N3.
What is the molecular weight of 3,5-dichloro-1H-1,2,4-triazole?
The molecular weight of 3,5-dichloro-1H-1,2,4-triazole is 136.95476 g/mol.
Where can I buy 3,5-dichloro-1H-1,2,4-triazole?
You can request a quote for 3,5-dichloro-1H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dichloro-1H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3,5-dichloro-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.