4-Cyano-1h-imidazole-5-carboxamide
TL;DR: 4-Cyano-1h-imidazole-5-carboxamide (CAS 5397-13-7) is a chemical compound with molecular formula C5H4N4O and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-1H-imidazole-5-carboxamide
Also Known As: 4-cyano-1h-imidazole-5-carboxamide, 5-Cyano-1H-imidazole-4-carboxamide, 4-Cyano-5-imidazolecarboxamide, 4-cyanoimidazole-5-carboxamide, 4-Cyano-5-imidazolcarboxamid
| Molecular Formula | C5H4N4O |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.03851 |
| Heavy Atoms | 10 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5397-13-7 |
|---|---|
| SMILES | C1=NC(=C(N1)C(=O)N)C#N |
| InChIKey | QBKYWNHLILCGEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-1h-imidazole-5-carboxamide (CAS 5397-13-7), with molecular formula C5H4N4O and molecular weight 136.04 g/mol. IUPAC: 4-cyano-1H-imidazole-5-carboxamide.
Chemical Property Profile of 4-Cyano-1h-imidazole-5-carboxamide
Property Insights of 4-Cyano-1h-imidazole-5-carboxamide
The XLogP value of -0.7 indicates that 4-Cyano-1h-imidazole-5-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-1h-imidazole-5-carboxamide. Following Lipinski's Rule of Five, 4-Cyano-1h-imidazole-5-carboxamide has 2 hydrogen bond donor(s) and 3 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 4-Cyano-1h-imidazole-5-carboxamide?
The CAS number of 4-Cyano-1h-imidazole-5-carboxamide is 5397-13-7.
What is the molecular formula of 4-Cyano-1h-imidazole-5-carboxamide?
The molecular formula of 4-Cyano-1h-imidazole-5-carboxamide is C5H4N4O.
What is the molecular weight of 4-Cyano-1h-imidazole-5-carboxamide?
The molecular weight of 4-Cyano-1h-imidazole-5-carboxamide is 136.04 g/mol.
Where can I buy 4-Cyano-1h-imidazole-5-carboxamide?
You can request a quote for 4-Cyano-1h-imidazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-1h-imidazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-1h-imidazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.