![N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine structure](/static/products/398/398519-38-5.png)
N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
TL;DR: N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine (CAS 398519-38-5) is a chemical compound with molecular formula C13H11N5 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1-phenylpyrrol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-(1-phenylpyrrol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine, N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine, (E)-N-((1-phenyl-1H-pyrrol-2-yl)methylene)-4H-1,2,4-triazol-4-amine, [1-(1-Phenyl-1H-pyrrol-2-yl)-meth-(E)-ylidene]-[1,2,4]triazol-4-yl-amine
| Molecular Formula | C13H11N5 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.951 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10144 |
| Heavy Atoms | 18 |
| Complexity | 637.0986 |
Chemical Identifiers
| CAS Number | 398519-38-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC=C2/C=N/N3C=NN=C3 |
Product Overview
N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine (CAS 398519-38-5), with molecular formula C13H11N5 and molecular weight 237.10 g/mol. IUPAC: (E)-1-(1-phenylpyrrol-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
Property Insights of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
The XLogP value of 1.951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 48.0 Ų, N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine has 0 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-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine is 398519-38-5.
What is the molecular formula of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine is C13H11N5.
What is the molecular weight of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine is 237.10 g/mol.
Where can I buy N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-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-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-(1-phenyl-1H-pyrrol-2-yl)methylidene]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.