1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 340968-89-0) is a chemical compound with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Also Known As: ZERO/001320, 1-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone, 1-Cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one, 1-cyclopropyl-2-(3-nitro-1{H}-1,2,4-triazol-1-yl)ethanone, 1-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone
| Molecular Formula | C7H8N4O3 |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.05965 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 340968-89-0 |
|---|---|
| SMILES | C1CC1C(=O)CN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | CZNVPFBZYFYUDM-UHFFFAOYSA-N |
Product Overview
1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 340968-89-0), with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol. IUPAC: 1-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
The XLogP value of -0.2 indicates that 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone 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 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 340968-89-0.
What is the molecular formula of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is C7H8N4O3.
What is the molecular weight of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 196.06 g/mol.
Where can I buy 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.