1-Methyltriazoline
TL;DR: 1-Methyltriazoline (CAS 136911-37-0) is a chemical compound with molecular formula C3H7N3 and molecular weight 85.063995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4,5-dihydrotriazole
Also Known As: 1-Methyltriazoline, 1-methyl-4,5-dihydrotriazole, Pca 50941, 1-methyl-4,5-dihydro-1H-1,2,3-triazole, 4,5-Dihydro-1-methyl-1H-1,2,3-triazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H7N3 |
| Molecular Weight | 85.063995 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.063995 Da |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
| SMILES | CN1CCN=N1 |
| InChIKey | HGNYQSJBHGCOTH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyltriazoline
Property Insights of 1-Methyltriazoline
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyltriazoline. With a topological polar surface area (TPSA) of 28.0 Ų, 1-Methyltriazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyltriazoline has 0 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 1-Methyltriazoline?
The CAS number of 1-Methyltriazoline is 136911-37-0.
What is the molecular formula of 1-Methyltriazoline?
The molecular formula of 1-Methyltriazoline is C3H7N3.
What is the molecular weight of 1-Methyltriazoline?
The molecular weight of 1-Methyltriazoline is 85.063995 g/mol.
Where can I buy 1-Methyltriazoline?
You can request a quote for 1-Methyltriazoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyltriazoline?
Yes, CoreyChem provides custom synthesis services for 1-Methyltriazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.