5-cyano-1H-imidazole-2-carboxylic acid

C5H3N3O2 — CID 11686917

IUPAC5-cyano-1H-imidazole-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C5H3N3O2/c6-1-3-2-7-4(8-3)5(9)10/h2H,(H,7,8)(H,9,10)
InChIKeyXTDRPNJABDWQFI-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.02
Rot. Bonds1

About 5-cyano-1H-imidazole-2-carboxylic acid

5-cyano-1H-imidazole-2-carboxylic acid (PubChem CID 11686917) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 5-cyano-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-1H-imidazole-2-carboxylic acid
PubChem CID11686917
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name5-cyano-1H-imidazole-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C5H3N3O2/c6-1-3-2-7-4(8-3)5(9)10/h2H,(H,7,8)(H,9,10)
InChIKeyXTDRPNJABDWQFI-UHFFFAOYSA-N
XLogP-0.02
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-cyano-1H-imidazole-2-carboxylic acid (CID 11686917) is 5-cyano-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-cyano-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-cyano-1H-imidazole-2-carboxylic acid is N#Cc1cnc(C(=O)O)[nH]1.
What is the InChIKey of 5-cyano-1H-imidazole-2-carboxylic acid?
The InChIKey is XTDRPNJABDWQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c6-1-3-2-7-4(8-3)5(9)10/h2H,(H,7,8)(H,9,10).
What are the key properties of 5-cyano-1H-imidazole-2-carboxylic acid?
5-cyano-1H-imidazole-2-carboxylic acid has a molecular weight of 137.10 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 11686917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).