Carbamoyltriazolinonen
TL;DR: Carbamoyltriazolinonen (CAS 3176-44-1) is a chemical compound with molecular formula C3H4N4O2 and molecular weight 128.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1,2-dihydrotriazole-4-carboxamide
Also Known As: Carbamoyltriazolinonen, 5-oxo-1,2-dihydrotriazole-4-carboxamide, 4-Hydroxy-1,2,3-triazole-5-carboxamide, 5-hydroxy-1,2,3-triazole-4-carboxamide, 5-hydroxy-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C3H4N4O2 |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.03343 |
| Heavy Atoms | 9 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 3176-44-1 |
|---|---|
| SMILES | C1(=NNNC1=O)C(=O)N |
| InChIKey | LSMSSKCIJUPWCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamoyltriazolinonen (CAS 3176-44-1), with molecular formula C3H4N4O2 and molecular weight 128.03 g/mol. IUPAC: 5-oxo-1,2-dihydrotriazole-4-carboxamide.
Chemical Property Profile of Carbamoyltriazolinonen
Property Insights of Carbamoyltriazolinonen
The XLogP value of -0.4 indicates that Carbamoyltriazolinonen is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamoyltriazolinonen. Following Lipinski's Rule of Five, Carbamoyltriazolinonen has 3 hydrogen bond donor(s) and 4 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 Carbamoyltriazolinonen?
The CAS number of Carbamoyltriazolinonen is 3176-44-1.
What is the molecular formula of Carbamoyltriazolinonen?
The molecular formula of Carbamoyltriazolinonen is C3H4N4O2.
What is the molecular weight of Carbamoyltriazolinonen?
The molecular weight of Carbamoyltriazolinonen is 128.03 g/mol.
Where can I buy Carbamoyltriazolinonen?
You can request a quote for Carbamoyltriazolinonen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamoyltriazolinonen?
Yes, KEHONG BIO provides custom synthesis services for Carbamoyltriazolinonen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.