2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid
TL;DR: 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid (CAS 77493-04-0) is a chemical compound with molecular formula C9H8N4O and molecular weight 188.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2,4-benzotriazin-3-yl)acetamide
Also Known As: 1,2,4-BENZOTRIAZINE-3-ACETAMIDE, 2-(1,2,4-benzotriazin-3-yl)acetamide, 2-benzo[e]1,2,4-triazin-3-ylacetamide, 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid, (1,2,4-Benzotriazin-3-yl)ethanimidic acid
Technical Specifications
| Molecular Formula | C9H8N4O |
| Molecular Weight | 188.06981 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06981 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | C1=CC=C2C(=C1)N=C(N=N2)CC(=O)N |
| InChIKey | QETXMGDPXHAZDG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid
Property Insights of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid
The XLogP value of -0.5 indicates that 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid. Following Lipinski's Rule of Five, 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid has 1 hydrogen bond donor(s) and 4 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-(1,2,4-Benzotriazin-3-yl)ethanimidic acid?
The CAS number of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid is 77493-04-0.
What is the molecular formula of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid?
The molecular formula of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid is C9H8N4O.
What is the molecular weight of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid?
The molecular weight of 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid is 188.06981 g/mol.
Where can I buy 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid?
You can request a quote for 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1,2,4-Benzotriazin-3-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.