![4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- structure](/static/products/3494/34948-39-5.webp)
4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-
TL;DR: 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- (CAS 34948-39-5) is a chemical compound with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: nitrobenzylideneaminotriazole, 1-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine, 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-, BAS 00165592, 1-(4-Nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C9H7N5O2 |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05997 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 34948-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NN2C=NN=C2)[N+](=O)[O-] |
| InChIKey | IMKCCYNECUHUSO-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- (CAS 34948-39-5), with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol. IUPAC: 1-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-
Property Insights of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- has 0 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 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-?
The CAS number of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- is 34948-39-5.
What is the molecular formula of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-?
The molecular formula of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- is C9H7N5O2.
What is the molecular weight of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-?
The molecular weight of 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- is 217.06 g/mol.
Where can I buy 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-?
You can request a quote for 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazol-4-amine, N-[(4-nitrophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.