1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-
TL;DR: 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- (CAS 86870-10-2) is a chemical compound with molecular formula C9H13N5 and molecular weight 191.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Also Known As: 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-, 1,2,4-Triazolo(4,3-b)-1,2,4-triazine, 3-methyl-7-tert-butyl-, 7-(1,1-Dimethylethyl)-3-methyl-1,2,4-triazolo(4,3-b)(1,2,4)triazine, 1,2,4-Triazolo -1,2,4-triazine,3-methyl-7-tert-butyl-, 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
| Molecular Formula | C9H13N5 |
|---|---|
| Molecular Weight | 191.12 g/mol |
| LogP | 1.12522 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.1171 |
| Heavy Atoms | 14 |
| Complexity | 465.4973 |
Chemical Identifiers
| CAS Number | 86870-10-2 |
|---|---|
| SMILES | CC1=NN=C2N1N=CC(=N2)C(C)(C)C |
Product Overview
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- (CAS 86870-10-2), with molecular formula C9H13N5 and molecular weight 191.12 g/mol. IUPAC: 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
Chemical Property Profile of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-
Property Insights of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-
The XLogP value of 1.12522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-. With a topological polar surface area (TPSA) of 55.97 Ų, 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- 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 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-?
The CAS number of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- is 86870-10-2.
What is the molecular formula of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-?
The molecular formula of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- is C9H13N5.
What is the molecular weight of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-?
The molecular weight of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- is 191.12 g/mol.
Where can I buy 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-?
You can request a quote for 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(1,1-dimethylethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.