4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-
TL;DR: 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- (CAS 111853-50-0) is a chemical compound with molecular formula C4H6Cl2N4 and molecular weight 179.99695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(chloromethyl)-1,2,4-triazol-4-amine
Also Known As: 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine, 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-, bis(chloromethyl)-4H-1,2,4-triazol-4-amine, 3,5-bis(chloromethyl)-4H-1,2,4-triazol-4-amine, J3.117.190C
Technical Specifications
| Molecular Formula | C4H6Cl2N4 |
| Molecular Weight | 179.99695 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.99695 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | C(C1=NN=C(N1N)CCl)Cl |
| InChIKey | YWYBYSYWJPGLGZ-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-
Property Insights of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-. With a topological polar surface area (TPSA) of 56.7 Ų, 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- 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
What is the CAS number of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-?
The CAS number of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- is 111853-50-0.
What is the molecular formula of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-?
The molecular formula of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- is C4H6Cl2N4.
What is the molecular weight of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-?
The molecular weight of 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- is 179.99695 g/mol.
Where can I buy 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-?
You can request a quote for 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.