3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole
TL;DR: 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole (CAS 4314-05-0) is a chemical compound with molecular formula C9H8N6 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-phenyl-[1,2,4]triazolo[3,4-e]tetrazole
Also Known As: 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole, 3-methyl-6-phenyl-[1,2,4]triazolo[3,4-e]tetrazole, 3-Methyl-6-phenyl-3H-triazolo-<4,3-d>tetrazol, 3-Methyl-6-phenyl-3H-[1,2,4]triazolo[4,3-d]tetraazole, 3H-S-TRIAZOLO(4,3-D)TETRAZOLE, 3-METHYL-6-PHENYL-
| Molecular Formula | C9H8N6 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.08104 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 4314-05-0 |
|---|---|
| SMILES | CN1C2=NN=C(N2N=N1)C3=CC=CC=C3 |
| InChIKey | YNNQOEDPWKJYME-UHFFFAOYSA-N |
Product Overview
3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole (CAS 4314-05-0), with molecular formula C9H8N6 and molecular weight 200.08 g/mol. IUPAC: 3-methyl-6-phenyl-[1,2,4]triazolo[3,4-e]tetrazole.
Chemical Property Profile of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole
Property Insights of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole. Following Lipinski's Rule of Five, 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole?
The CAS number of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole is 4314-05-0.
What is the molecular formula of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole?
The molecular formula of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole is C9H8N6.
What is the molecular weight of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole?
The molecular weight of 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole is 200.08 g/mol.
Where can I buy 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole?
You can request a quote for 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-6-phenyl-3H-(1,2,4)triazolo(4,3-d)tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.