4-amino-1-methyl-1H-imidazole-5-carbonitrile
TL;DR: 4-amino-1-methyl-1H-imidazole-5-carbonitrile (CAS 40637-80-7) is a chemical compound with molecular formula C5H6N4 and molecular weight 122.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-methylimidazole-4-carbonitrile
Also Known As: 4-Amino-1-methylimidazole-5-carbonitrile, 4-Amino-1-methyl-1h-imidazole-5-carbonitrile, 5-amino-3-methylimidazole-4-carbonitrile, 5-amino-3-methyl-imidazole-4-carbonitrile, 1-Methyl-4-amino-5-cyano-imidazol
| Molecular Formula | C5H6N4 |
|---|---|
| Molecular Weight | 122.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.05925 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 40637-80-7 |
|---|---|
| SMILES | CN1C=NC(=C1C#N)N |
| InChIKey | MUCJLNAYMQWOJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-amino-1-methyl-1H-imidazole-5-carbonitrile (CAS 40637-80-7), with molecular formula C5H6N4 and molecular weight 122.06 g/mol. IUPAC: 5-amino-3-methylimidazole-4-carbonitrile.
Chemical Property Profile of 4-amino-1-methyl-1H-imidazole-5-carbonitrile
Property Insights of 4-amino-1-methyl-1H-imidazole-5-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-1-methyl-1H-imidazole-5-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1-methyl-1H-imidazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-amino-1-methyl-1H-imidazole-5-carbonitrile has 1 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-amino-1-methyl-1H-imidazole-5-carbonitrile?
The CAS number of 4-amino-1-methyl-1H-imidazole-5-carbonitrile is 40637-80-7.
What is the molecular formula of 4-amino-1-methyl-1H-imidazole-5-carbonitrile?
The molecular formula of 4-amino-1-methyl-1H-imidazole-5-carbonitrile is C5H6N4.
What is the molecular weight of 4-amino-1-methyl-1H-imidazole-5-carbonitrile?
The molecular weight of 4-amino-1-methyl-1H-imidazole-5-carbonitrile is 122.06 g/mol.
Where can I buy 4-amino-1-methyl-1H-imidazole-5-carbonitrile?
You can request a quote for 4-amino-1-methyl-1H-imidazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-1-methyl-1H-imidazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-1-methyl-1H-imidazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.