[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium

C10H15N3O — CID 163635870

IUPAC[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium
SMILESCCC[N+]([O-])=NNc1ccc(C)cc1
InChIInChI=1S/C10H15N3O/c1-3-8-13(14)12-11-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyJYNWXOCQNDKTCK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.69
Rot. Bonds4

About [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium

[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium (PubChem CID 163635870) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium.

Molecular Properties

Compound Name[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium
PubChem CID163635870
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium
SMILESCCC[N+]([O-])=NNc1ccc(C)cc1
InChIInChI=1S/C10H15N3O/c1-3-8-13(14)12-11-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyJYNWXOCQNDKTCK-UHFFFAOYSA-N
XLogP2.69
TPSA50.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium?
The IUPAC name of [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium (CID 163635870) is [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium.
What is the SMILES notation for [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium?
The canonical SMILES for [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium is CCC[N+]([O-])=NNc1ccc(C)cc1.
What is the InChIKey of [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium?
The InChIKey is JYNWXOCQNDKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-8-13(14)12-11-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium?
[(4-methylphenyl)hydrazinylidene]-oxido-propylazanium has a molecular weight of 193.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)hydrazinylidene]-oxido-propylazanium is sourced from PubChem (CID 163635870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).