(E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine (CAS 89977-53-7) is a chemical compound with molecular formula C8H8N4O and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine, 1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-(5-METHYLFURAN-2-YL)-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE, N-[(E)-(5-methylfuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C8H8N4O |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 1.06172 |
| Topological Polar Surface Area | 56.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.06981 |
| Heavy Atoms | 13 |
| Complexity | 401.46295 |
Chemical Identifiers
| CAS Number | 89977-53-7 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=N/N2C=NN=C2 |
Product Overview
(E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine (CAS 89977-53-7), with molecular formula C8H8N4O and molecular weight 176.07 g/mol. IUPAC: (E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.06172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 56.21 Ų, (E)-N-((5-methylfuran-2-yl)methylene)-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-((5-methylfuran-2-yl)methylene)-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-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine is 89977-53-7.
What is the molecular formula of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine is C8H8N4O.
What is the molecular weight of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine is 176.07 g/mol.
Where can I buy (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-N-((5-methylfuran-2-yl)methylene)-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-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.