4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide

C15H16N6 — CID 88909226

IUPAC4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C15H16N6/c1-10(16)11-2-6-13(7-3-11)19-21-20-14-8-4-12(5-9-14)15(17)18/h2-9,16H,1H3,(H3,17,18)(H,19,20)/b16-10+
InChIKeyHOXCLRULBKPBQO-MHWRWJLKSA-N
MW280.34 g/mol
LogP3.47
Rot. Bonds5

About 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide

4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide (PubChem CID 88909226) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide
PubChem CID88909226
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C15H16N6/c1-10(16)11-2-6-13(7-3-11)19-21-20-14-8-4-12(5-9-14)15(17)18/h2-9,16H,1H3,(H3,17,18)(H,19,20)/b16-10+
InChIKeyHOXCLRULBKPBQO-MHWRWJLKSA-N
XLogP3.47
TPSA110.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide?
The IUPAC name of 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide (CID 88909226) is 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(C)=N/[H])cc2)cc1.
What is the InChIKey of 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide?
The InChIKey is HOXCLRULBKPBQO-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N6/c1-10(16)11-2-6-13(7-3-11)19-21-20-14-8-4-12(5-9-14)15(17)18/h2-9,16H,1H3,(H3,17,18)(H,19,20)/b16-10+.
What are the key properties of 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide?
4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide has a molecular weight of 280.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethanimidoylanilino)diazenyl]benzenecarboximidamide is sourced from PubChem (CID 88909226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).