4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile

C8H10N4O — CID 154139459

IUPAC4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile
SMILESCCOCC=Nc1nc[nH]c1C#N
InChIInChI=1S/C8H10N4O/c1-2-13-4-3-10-8-7(5-9)11-6-12-8/h3,6H,2,4H2,1H3,(H,11,12)
InChIKeyHEMWSNAPODALIA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.02
Rot. Bonds4

About 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile

4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile (PubChem CID 154139459) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile
PubChem CID154139459
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile
SMILESCCOCC=Nc1nc[nH]c1C#N
InChIInChI=1S/C8H10N4O/c1-2-13-4-3-10-8-7(5-9)11-6-12-8/h3,6H,2,4H2,1H3,(H,11,12)
InChIKeyHEMWSNAPODALIA-UHFFFAOYSA-N
XLogP1.02
TPSA74.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile?
The IUPAC name of 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile (CID 154139459) is 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile?
The canonical SMILES for 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile is CCOCC=Nc1nc[nH]c1C#N.
What is the InChIKey of 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile?
The InChIKey is HEMWSNAPODALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-13-4-3-10-8-7(5-9)11-6-12-8/h3,6H,2,4H2,1H3,(H,11,12).
What are the key properties of 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile?
4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylideneamino)-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 154139459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).