4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide

C8H11FN6O2 — CID 166540383

IUPAC4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N(CCF)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C8H11FN6O2/c1-5(16)15(3-2-9)14-13-8-6(7(10)17)11-4-12-8/h4H,2-3H2,1H3,(H2,10,17)(H,11,12)/b14-13+
InChIKeyMEEDFJQCNQIJKP-BUHFOSPRSA-N
MW242.21 g/mol
LogP0.33
Rot. Bonds5

About 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide

4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 166540383) has the molecular formula C8H11FN6O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
PubChem CID166540383
Molecular FormulaC8H11FN6O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N(CCF)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C8H11FN6O2/c1-5(16)15(3-2-9)14-13-8-6(7(10)17)11-4-12-8/h4H,2-3H2,1H3,(H2,10,17)(H,11,12)/b14-13+
InChIKeyMEEDFJQCNQIJKP-BUHFOSPRSA-N
XLogP0.33
TPSA116.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide (CID 166540383) is 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide is CC(=O)N(CCF)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is MEEDFJQCNQIJKP-BUHFOSPRSA-N. The full InChI is InChI=1S/C8H11FN6O2/c1-5(16)15(3-2-9)14-13-8-6(7(10)17)11-4-12-8/h4H,2-3H2,1H3,(H2,10,17)(H,11,12)/b14-13+.
What are the key properties of 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 242.21 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 166540383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).