![1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one structure](/static/products/121/121318-96-5.webp)
1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one
TL;DR: 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one (CAS 121318-96-5) is a chemical compound with molecular formula C12H13ClN4O and molecular weight 264.0778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one
Also Known As: 1-(3-Chlorophenyl)-5-(2-oxo-1-pyrrolidinyl)-1,2,3-triazoline, 1-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one, 1-[[4,5-Dihydro-1-(4-chlorophenyl)-1H-1,2,3-triazol]-5-yl]pyrrolidin-2-one, 1-[1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,3-triazol-5-yl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C12H13ClN4O |
| Molecular Weight | 264.0778 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0778 Da |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
| SMILES | C1CC(=O)N(C1)C2CN=NN2C3=CC=C(C=C3)Cl |
| InChIKey | RIGSLEMSVHQMRD-UHFFFAOYSA-N |
Chemical Property Profile of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one
Property Insights of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 48.3 Ų, 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one 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-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one?
The CAS number of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one is 121318-96-5.
What is the molecular formula of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one?
The molecular formula of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one is C12H13ClN4O.
What is the molecular weight of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one?
The molecular weight of 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one is 264.0778 g/mol.
Where can I buy 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one?
You can request a quote for 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one?
Yes, CoreyChem provides custom synthesis services for 1-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.