1H-Imidazole-4,5-dicarbonitrile, 2-amino-
TL;DR: 1H-Imidazole-4,5-dicarbonitrile, 2-amino- (CAS 40953-34-2) is a chemical compound with molecular formula C5H3N5 and molecular weight 133.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1H-imidazole-4,5-dicarbonitrile
Also Known As: 2-Amino-1H-imidazole-4,5-dicarbonitrile, 4,5-dicyano-2-aminoimidazole, 2-Amino-4,5-imidazoledicarbonitrile, 2-Amino-4,5-dicyanoimidazole, 2-Amino-4,5-dicyano-1H-imidazole
| Molecular Formula | C5H3N5 |
|---|---|
| Molecular Weight | 133.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.03885 |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 40953-34-2 |
|---|---|
| SMILES | C(#N)C1=C(N=C(N1)N)C#N |
| InChIKey | MLOXIXGLIZLPDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole-4,5-dicarbonitrile, 2-amino- (CAS 40953-34-2), with molecular formula C5H3N5 and molecular weight 133.04 g/mol. IUPAC: 2-amino-1H-imidazole-4,5-dicarbonitrile.
Chemical Property Profile of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-
Property Insights of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-
The XLogP value of -0.2 indicates that 1H-Imidazole-4,5-dicarbonitrile, 2-amino- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4,5-dicarbonitrile, 2-amino-. Following Lipinski's Rule of Five, 1H-Imidazole-4,5-dicarbonitrile, 2-amino- has 2 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 1H-Imidazole-4,5-dicarbonitrile, 2-amino-?
The CAS number of 1H-Imidazole-4,5-dicarbonitrile, 2-amino- is 40953-34-2.
What is the molecular formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-?
The molecular formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino- is C5H3N5.
What is the molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-?
The molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-amino- is 133.04 g/mol.
Where can I buy 1H-Imidazole-4,5-dicarbonitrile, 2-amino-?
You can request a quote for 1H-Imidazole-4,5-dicarbonitrile, 2-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4,5-dicarbonitrile, 2-amino-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4,5-dicarbonitrile, 2-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.