5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole
TL;DR: 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole (CAS 118648-66-1) is a chemical compound with molecular formula C8H11N5O3 and molecular weight 225.08618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one
Also Known As: RB 6162, 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole, 4-[5-(aziridin-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one, 2-Butanone, 4-(5-(1-aziridinyl)-3-nitro-1H-1,2,4-triazol-1-yl)-, 2-Butanone,4-[5-(1-aziridinyl)-3-nitro-1H-1,2,4-triazol-1-yl]-
Technical Specifications
| Molecular Formula | C8H11N5O3 |
| Molecular Weight | 225.08618 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.08618 Da |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
| SMILES | CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])N2CC2 |
| InChIKey | IIBYIUDIVZPZKG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole
Property Insights of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole?
The CAS number of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole is 118648-66-1.
What is the molecular formula of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole?
The molecular formula of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole is C8H11N5O3.
What is the molecular weight of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole?
The molecular weight of 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole is 225.08618 g/mol.
Where can I buy 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole?
You can request a quote for 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 5-(1-Aziridinyl)-3-nitro-1-(3-oxo-1-butyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.