(3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone
TL;DR: (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone (CAS 296796-76-4) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
Also Known As: 3-amino(1,2,4-triazolyl) 2-furyl ketone, 1-(2-furoyl)-1H-1,2,4-triazol-3-amine, (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone, (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone, (3-AMINO-1H-1,2,4-TRIAZOL-1-YL)(2-FURYL)METHANONE
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 296796-76-4 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)N2C=NC(=N2)N |
| InChIKey | IESPRAYLMDDQJZ-UHFFFAOYSA-N |
Product Overview
(3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone (CAS 296796-76-4), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.
Chemical Property Profile of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone
Property Insights of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone. Following Lipinski's Rule of Five, (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone has 1 hydrogen bond donor(s) and 5 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 (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone?
The CAS number of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone is 296796-76-4.
What is the molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone?
The molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone is C7H6N4O2.
What is the molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone?
The molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone is 178.05 g/mol.
Where can I buy (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone?
You can request a quote for (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-amino-1H-1,2,4-triazol-1-yl)(furan-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.