s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-
TL;DR: s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- (CAS 41735-45-9) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-dimethyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
Also Known As: 1-Methyl-3-methylamino-5-(5-nitro-2-furyl)-s-triazole, s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-, 1H-1,2,4-Triazol-3-amine, N,1-dimethyl-5-(5-nitro-2-furyl)-, Methylamine, N-(1-methyl-5-(5-nitro-2-furyl)-s-triazol-3-yl)-, N,1-dimethyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.025 |
| Topological Polar Surface Area | 99.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 529.51624 |
Chemical Identifiers
| CAS Number | 41735-45-9 |
|---|---|
| SMILES | CNC1=NN(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C |
Product Overview
s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- (CAS 41735-45-9), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: N,1-dimethyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine.
Chemical Property Profile of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-
Property Insights of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-
The XLogP value of 1.025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-. The TPSA of 99.02 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- has 1 hydrogen bond donor(s) and 6 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 s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-?
The CAS number of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- is 41735-45-9.
What is the molecular formula of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-?
The molecular formula of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- is C8H9N5O3.
What is the molecular weight of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-?
The molecular weight of s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- is 223.07 g/mol.
Where can I buy s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-?
You can request a quote for s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 1-methyl-3-methylamino-5-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.