ethyl 4-amino-4H-imidazole-5-carboxylate

C6H9N3O2 — CID 6424292

IUPACethyl 4-amino-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1=NC=NC1N
InChIInChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3,5H,2,7H2,1H3
InChIKeyOKZVJKUKLMZEFA-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.68
Rot. Bonds2

About ethyl 4-amino-4H-imidazole-5-carboxylate

ethyl 4-amino-4H-imidazole-5-carboxylate (PubChem CID 6424292) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is ethyl 4-amino-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-4H-imidazole-5-carboxylate
PubChem CID6424292
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameethyl 4-amino-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1=NC=NC1N
InChIInChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3,5H,2,7H2,1H3
InChIKeyOKZVJKUKLMZEFA-UHFFFAOYSA-N
XLogP-0.68
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-4H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-4H-imidazole-5-carboxylate (CID 6424292) is ethyl 4-amino-4H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-4H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-4H-imidazole-5-carboxylate is CCOC(=O)C1=NC=NC1N.
What is the InChIKey of ethyl 4-amino-4H-imidazole-5-carboxylate?
The InChIKey is OKZVJKUKLMZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3,5H,2,7H2,1H3.
What are the key properties of ethyl 4-amino-4H-imidazole-5-carboxylate?
ethyl 4-amino-4H-imidazole-5-carboxylate has a molecular weight of 155.16 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-4H-imidazole-5-carboxylate is sourced from PubChem (CID 6424292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).