N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide

C12H16N4O — CID 118900017

IUPACN-hydrazinylidene-2-oxo-N'-phenylhexanimidamide
SMILESCCCCC(=O)C(=N/c1ccccc1)/N=N/N
InChIInChI=1S/C12H16N4O/c1-2-3-9-11(17)12(15-16-13)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15)
InChIKeyCOZGLHJVXXKNGV-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.80
Rot. Bonds5

About N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide

N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide (PubChem CID 118900017) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide.

Molecular Properties

Compound NameN-hydrazinylidene-2-oxo-N'-phenylhexanimidamide
PubChem CID118900017
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-hydrazinylidene-2-oxo-N'-phenylhexanimidamide
SMILESCCCCC(=O)C(=N/c1ccccc1)/N=N/N
InChIInChI=1S/C12H16N4O/c1-2-3-9-11(17)12(15-16-13)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15)
InChIKeyCOZGLHJVXXKNGV-UHFFFAOYSA-N
XLogP2.80
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide?
The IUPAC name of N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide (CID 118900017) is N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide.
What is the SMILES notation for N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide?
The canonical SMILES for N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide is CCCCC(=O)C(=N/c1ccccc1)/N=N/N.
What is the InChIKey of N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide?
The InChIKey is COZGLHJVXXKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-3-9-11(17)12(15-16-13)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15).
What are the key properties of N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide?
N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide has a molecular weight of 232.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-2-oxo-N'-phenylhexanimidamide is sourced from PubChem (CID 118900017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).