![dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine structure](/static/products/104/1042680-50-1.png)
dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
TL;DR: dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine (CAS 1042680-50-1) is a chemical compound with molecular formula C15H15N7S and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine, N,N-dimethyl-4-(3-(3-methyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, N,N-dimethyl-4-[3-(3-methyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, N,N-dimethyl-4-[3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, N,N-dimethyl-4-[3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
| Molecular Formula | C15H15N7S |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 2.61732 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.11096 |
| Heavy Atoms | 23 |
| Complexity | 961.4689 |
Chemical Identifiers
| CAS Number | 1042680-50-1 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)N(C)C |
Product Overview
dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine (CAS 1042680-50-1), with molecular formula C15H15N7S and molecular weight 325.11 g/mol. IUPAC: N,N-dimethyl-4-[3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
Property Insights of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
The XLogP value of 2.61732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine. Following Lipinski's Rule of Five, dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine has 1 hydrogen bond donor(s) and 6 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 dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The CAS number of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is 1042680-50-1.
What is the molecular formula of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The molecular formula of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is C15H15N7S.
What is the molecular weight of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The molecular weight of dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is 325.11 g/mol.
Where can I buy dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
You can request a quote for dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
Yes, KEHONG BIO provides custom synthesis services for dimethyl{4-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.