4,5-dicyano-1H-imidazole-2-carboxylic acid

C6H2N4O2 — CID 68756293

IUPAC4,5-dicyano-1H-imidazole-2-carboxylic acid
SMILESN#Cc1nc(C(=O)O)[nH]c1C#N
InChIInChI=1S/C6H2N4O2/c7-1-3-4(2-8)10-5(9-3)6(11)12/h(H,9,10)(H,11,12)
InChIKeyZOKGSMNRYOVDCC-UHFFFAOYSA-N
MW162.11 g/mol
LogP-0.15
Rot. Bonds1

About 4,5-dicyano-1H-imidazole-2-carboxylic acid

4,5-dicyano-1H-imidazole-2-carboxylic acid (PubChem CID 68756293) has the molecular formula C6H2N4O2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 4,5-dicyano-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dicyano-1H-imidazole-2-carboxylic acid
PubChem CID68756293
Molecular FormulaC6H2N4O2
Molecular Weight162.11 g/mol
Exact Mass162.02
IUPAC Name4,5-dicyano-1H-imidazole-2-carboxylic acid
SMILESN#Cc1nc(C(=O)O)[nH]c1C#N
InChIInChI=1S/C6H2N4O2/c7-1-3-4(2-8)10-5(9-3)6(11)12/h(H,9,10)(H,11,12)
InChIKeyZOKGSMNRYOVDCC-UHFFFAOYSA-N
XLogP-0.15
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dicyano-1H-imidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyano-1H-imidazole-2-carboxylic acid?
The IUPAC name of 4,5-dicyano-1H-imidazole-2-carboxylic acid (CID 68756293) is 4,5-dicyano-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 4,5-dicyano-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 4,5-dicyano-1H-imidazole-2-carboxylic acid is N#Cc1nc(C(=O)O)[nH]c1C#N.
What is the InChIKey of 4,5-dicyano-1H-imidazole-2-carboxylic acid?
The InChIKey is ZOKGSMNRYOVDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N4O2/c7-1-3-4(2-8)10-5(9-3)6(11)12/h(H,9,10)(H,11,12).
What are the key properties of 4,5-dicyano-1H-imidazole-2-carboxylic acid?
4,5-dicyano-1H-imidazole-2-carboxylic acid has a molecular weight of 162.11 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyano-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 68756293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).