![N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline structure](/static/products/4256/425626-45-5.webp)
N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
TL;DR: N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (CAS 425626-45-5) is a chemical compound with molecular formula C10H10N6O2 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
Also Known As: AB00104633-01, AN-023/14772034, N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline, 4-{[3-nitro-4-(methylamino)benzylidene]amino}-4H-1,2,4-triazole, N-{(E)-[4-(methylamino)-3-nitrophenyl]methylidene}-4H-1,2,4-triazol-4-amine
| Molecular Formula | C10H10N6O2 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 1.1102 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.08652 |
| Heavy Atoms | 18 |
| Complexity | 578.0588 |
Chemical Identifiers
| CAS Number | 425626-45-5 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)/C=N/N2C=NN=C2)[N+](=O)[O-] |
Product Overview
N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline (CAS 425626-45-5), with molecular formula C10H10N6O2 and molecular weight 246.09 g/mol. IUPAC: N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline.
Chemical Property Profile of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
Property Insights of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline
The XLogP value of 1.1102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline. Following Lipinski's Rule of Five, N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline 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 N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The CAS number of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is 425626-45-5.
What is the molecular formula of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The molecular formula of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is C10H10N6O2.
What is the molecular weight of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
The molecular weight of N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline is 246.09 g/mol.
Where can I buy N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
You can request a quote for N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2-nitro-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.