4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 155431-47-3) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one
Also Known As: 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(4-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one, 5N-076, 4-(4-isopropylphenyl)-1H-1,2,4-triazol-5-one, 4-(4-isopropylphenyl)-2H-1,2,4-triazol-3-one
Technical Specifications
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.10587 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.10587 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | CC(C)C1=CC=C(C=C1)N2C=NNC2=O |
| InChIKey | MXONGQHLHLATMV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 44.7 Ų, 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 155431-47-3.
What is the molecular formula of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C11H13N3O.
What is the molecular weight of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 203.10587 g/mol.
Where can I buy 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.