2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one
TL;DR: 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one (CAS 13576-20-0) is a chemical compound with molecular formula C3H6N4O and molecular weight 114.05416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dimethyltetrazol-5-one
Also Known As: 1,4-dimethylte trazolone, 1,4-dimethyltetrazol-5-one, 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one, 1,4-Dimethyl-2-tetrazolin-5-one, 1,4-Dimethyl-1,4-dihydro-5H-tetrazol-5-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6N4O |
| Molecular Weight | 114.05416 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05416 Da |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
| SMILES | CN1C(=O)N(N=N1)C |
| InChIKey | GUBKZLXUUZOACU-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one
Property Insights of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one. With a topological polar surface area (TPSA) of 48.3 Ų, 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one 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 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one?
The CAS number of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one is 13576-20-0.
What is the molecular formula of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one?
The molecular formula of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one is C3H6N4O.
What is the molecular weight of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one?
The molecular weight of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one is 114.05416 g/mol.
Where can I buy 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one?
You can request a quote for 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one?
Yes, CoreyChem provides custom synthesis services for 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.