(E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine (CAS 35554-79-1) is a chemical compound with molecular formula C8H7N5 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine, 4-((1E)-2-(3-pyridyl)-1-azavinyl)-1,2,4-triazole, (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C8H7N5 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 0.5553 |
| Topological Polar Surface Area | 55.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.07014 |
| Heavy Atoms | 13 |
| Complexity | 378.18134 |
Chemical Identifiers
| CAS Number | 35554-79-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/N2C=NN=C2 |
Product Overview
(E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine (CAS 35554-79-1), with molecular formula C8H7N5 and molecular weight 173.07 g/mol. IUPAC: (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
The XLogP value of 0.5553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 55.96 Ų, (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine 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 (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine is 35554-79-1.
What is the molecular formula of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine is C8H7N5.
What is the molecular weight of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine is 173.07 g/mol.
Where can I buy (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.