5-ethylimidazole-1-carboxamide

C6H9N3O — CID 173433611

IUPAC5-ethylimidazole-1-carboxamide
SMILESCCc1cncn1C(N)=O
InChIInChI=1S/C6H9N3O/c1-2-5-3-8-4-9(5)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyVGAQDOGCAIBRKE-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.37
Rot. Bonds1

About 5-ethylimidazole-1-carboxamide

5-ethylimidazole-1-carboxamide (PubChem CID 173433611) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-ethylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-ethylimidazole-1-carboxamide
PubChem CID173433611
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-ethylimidazole-1-carboxamide
SMILESCCc1cncn1C(N)=O
InChIInChI=1S/C6H9N3O/c1-2-5-3-8-4-9(5)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyVGAQDOGCAIBRKE-UHFFFAOYSA-N
XLogP0.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethylimidazole-1-carboxamide 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 5-ethylimidazole-1-carboxamide?
The IUPAC name of 5-ethylimidazole-1-carboxamide (CID 173433611) is 5-ethylimidazole-1-carboxamide.
What is the SMILES notation for 5-ethylimidazole-1-carboxamide?
The canonical SMILES for 5-ethylimidazole-1-carboxamide is CCc1cncn1C(N)=O.
What is the InChIKey of 5-ethylimidazole-1-carboxamide?
The InChIKey is VGAQDOGCAIBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-5-3-8-4-9(5)6(7)10/h3-4H,2H2,1H3,(H2,7,10).
What are the key properties of 5-ethylimidazole-1-carboxamide?
5-ethylimidazole-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylimidazole-1-carboxamide is sourced from PubChem (CID 173433611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).