4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole
TL;DR: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole (CAS 54931-04-3) is a chemical compound with molecular formula C8H10N4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)-1,2,4-triazole
Also Known As: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole, Bionet2_000650, 4-(2,5-dimethylpyrrol-1-yl)-1,2,4-triazole, J2.262.731G, 5R-0073
| Molecular Formula | C8H10N4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 1.00784 |
| Topological Polar Surface Area | 35.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.09055 |
| Heavy Atoms | 12 |
| Complexity | 352.17325 |
Chemical Identifiers
| CAS Number | 54931-04-3 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NN=C2)C |
Product Overview
4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole (CAS 54931-04-3), with molecular formula C8H10N4 and molecular weight 162.09 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)-1,2,4-triazole.
Chemical Property Profile of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole
Property Insights of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole
The XLogP value of 1.00784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 35.64 Ų, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 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 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole?
The CAS number of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole is 54931-04-3.
What is the molecular formula of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole?
The molecular formula of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole is C8H10N4.
What is the molecular weight of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole?
The molecular weight of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole is 162.09 g/mol.
Where can I buy 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole?
You can request a quote for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.