n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine
TL;DR: n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine (CAS 35554-80-4) 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.
1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: n-(4-pyridinylmethylene)-4h-1,2,4-triazol-4-amine, 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine, 1-(pyridin-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C8H7N5 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.07014 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 35554-80-4 |
|---|---|
| SMILES | C1=CN=CC=C1C=NN2C=NN=C2 |
| InChIKey | LDLQZUNGAXMYIF-UHFFFAOYSA-N |
Product Overview
n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine (CAS 35554-80-4), with molecular formula C8H7N5 and molecular weight 173.07 g/mol. IUPAC: 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine
Property Insights of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 56.0 Ų, n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(4-Pyridinylmethylene)-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 n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine?
The CAS number of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine is 35554-80-4.
What is the molecular formula of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine?
The molecular formula of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine is C8H7N5.
What is the molecular weight of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine?
The molecular weight of n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine is 173.07 g/mol.
Where can I buy n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine?
You can request a quote for n-(4-Pyridinylmethylene)-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 n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Pyridinylmethylene)-4h-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.