N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine
TL;DR: N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine (CAS 35554-74-6) is a chemical compound with molecular formula C11H9N5 and molecular weight 211.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-(1H-indol-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine, indol-3-ylmethylene-[1,2,4]triazol-4-yl-amine, N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine, RefChem:359999
| Molecular Formula | C11H9N5 |
|---|---|
| Molecular Weight | 211.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0858 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 35554-74-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=NN3C=NN=C3 |
| InChIKey | XBDRNNWKGLPRIX-UHFFFAOYSA-N |
Product Overview
N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine (CAS 35554-74-6), with molecular formula C11H9N5 and molecular weight 211.09 g/mol. IUPAC: 1-(1H-indol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine
Property Insights of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 58.9 Ų, N-(1H-Indol-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, N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 3 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-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The CAS number of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine is 35554-74-6.
What is the molecular formula of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine is C11H9N5.
What is the molecular weight of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine is 211.09 g/mol.
Where can I buy N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(1H-Indol-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 N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-Indol-3-ylmethylene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.