4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 125835-24-7) is a chemical compound with molecular formula C6H9N3O and molecular weight 139.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one
Also Known As: NCI60_026615, 4-cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one, 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 4-cyclopropyl-2,4-dihydro-5-methyl-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.07455 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.07455 Da |
| Heavy Atoms | 10 |
| Complexity | 207.0 |
| SMILES | CC1=NNC(=O)N1C2CC2 |
| InChIKey | OLMQFIGUQCDKMI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of -0.1 indicates that 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.7 Ų, 4-Cyclopropyl-5-methyl-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-Cyclopropyl-5-methyl-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-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 125835-24-7.
What is the molecular formula of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C6H9N3O.
What is the molecular weight of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 139.07455 g/mol.
Where can I buy 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-Cyclopropyl-5-methyl-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-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Cyclopropyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.