3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
TL;DR: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine (CAS 152562-61-3) is a chemical compound with molecular formula C15H13N7S and molecular weight 323.0953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
Also Known As: AB00115476-01, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine, 3-(benzimidazol-2-ylmethylthio)-5-(4-pyridyl)-1,2,4-triazole-4-ylamine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C15H13N7S |
| Molecular Weight | 323.0953 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0953 Da |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC=NC=C4 |
| InChIKey | JEYPPTDLPKRWPQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
Property Insights of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The CAS number of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is 152562-61-3.
What is the molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The molecular formula of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is C15H13N7S.
What is the molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The molecular weight of 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine is 323.0953 g/mol.
Where can I buy 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
You can request a quote for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.