4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide

C11H19N7O — CID 135509550

IUPAC4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
SMILESCN(/N=N/c1nc[nH]c1C(=O)NN)C1CCCCC1
InChIInChI=1S/C11H19N7O/c1-18(8-5-3-2-4-6-8)17-16-10-9(11(19)15-12)13-7-14-10/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,19)/b17-16+
InChIKeyOGPOVEXXLGHELU-WUKNDPDISA-N
MW265.32 g/mol
LogP1.28
Rot. Bonds4

About 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide

4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide (PubChem CID 135509550) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide.

Molecular Properties

Compound Name4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
PubChem CID135509550
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
SMILESCN(/N=N/c1nc[nH]c1C(=O)NN)C1CCCCC1
InChIInChI=1S/C11H19N7O/c1-18(8-5-3-2-4-6-8)17-16-10-9(11(19)15-12)13-7-14-10/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,19)/b17-16+
InChIKeyOGPOVEXXLGHELU-WUKNDPDISA-N
XLogP1.28
TPSA111.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The IUPAC name of 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide (CID 135509550) is 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide.
What is the SMILES notation for 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The canonical SMILES for 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide is CN(/N=N/c1nc[nH]c1C(=O)NN)C1CCCCC1.
What is the InChIKey of 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The InChIKey is OGPOVEXXLGHELU-WUKNDPDISA-N. The full InChI is InChI=1S/C11H19N7O/c1-18(8-5-3-2-4-6-8)17-16-10-9(11(19)15-12)13-7-14-10/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,19)/b17-16+.
What are the key properties of 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide has a molecular weight of 265.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[cyclohexyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide is sourced from PubChem (CID 135509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).