5-amino-1H-imidazole-4-carbonitrile
TL;DR: 5-amino-1H-imidazole-4-carbonitrile (CAS 5098-11-3) is a chemical compound with molecular formula C4H4N4 and molecular weight 108.043594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1H-imidazole-5-carbonitrile
Also Known As: 5-Amino-1H-imidazole-4-carbonitrile, 4-Amino-1H-imidazole-5-carbonitrile, 5-Amino-1H-imidazol-4-carbonitrile, 5-aminoimidazole-4-carbonitrile, 5-Cyano-4-aminoimidazole
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4N4 |
| Molecular Weight | 108.043594 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.043594 Da |
| Heavy Atoms | 8 |
| Complexity | 123.0 |
| SMILES | C1=NC(=C(N1)C#N)N |
| InChIKey | XEPBRDBFOSKYCF-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1H-imidazole-4-carbonitrile
Property Insights of 5-amino-1H-imidazole-4-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1H-imidazole-4-carbonitrile. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1H-imidazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1H-imidazole-4-carbonitrile 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
What is the CAS number of 5-amino-1H-imidazole-4-carbonitrile?
The CAS number of 5-amino-1H-imidazole-4-carbonitrile is 5098-11-3.
What is the molecular formula of 5-amino-1H-imidazole-4-carbonitrile?
The molecular formula of 5-amino-1H-imidazole-4-carbonitrile is C4H4N4.
What is the molecular weight of 5-amino-1H-imidazole-4-carbonitrile?
The molecular weight of 5-amino-1H-imidazole-4-carbonitrile is 108.043594 g/mol.
Where can I buy 5-amino-1H-imidazole-4-carbonitrile?
You can request a quote for 5-amino-1H-imidazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-1H-imidazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-amino-1H-imidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.