![4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one structure](/static/products/147/147440-65-1.webp)
4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one
TL;DR: 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one (CAS 147440-65-1) is a chemical compound with molecular formula C9H9ClN4O and molecular weight 224.0465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one
Also Known As: NCI60_027195, J1.531.685C, 4-amino-3-(p-chlorobenzyl)-1H-1,2,4-triazol-5-one, 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one, 4-Amino-5-(4-chlorobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Technical Specifications
| Molecular Formula | C9H9ClN4O |
| Molecular Weight | 224.0465 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0465 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | C1=CC(=CC=C1CC2=NNC(=O)N2N)Cl |
| InChIKey | MMGCFXABPOMXGC-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one
Property Insights of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one. Following Lipinski's Rule of Five, 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one has 2 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 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one?
The CAS number of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one is 147440-65-1.
What is the molecular formula of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one?
The molecular formula of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one is C9H9ClN4O.
What is the molecular weight of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one?
The molecular weight of 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one is 224.0465 g/mol.
Where can I buy 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one?
You can request a quote for 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one?
Yes, CoreyChem provides custom synthesis services for 4-amino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.