methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium

C8H11N3O — CID 171384767

IUPACmethyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium
SMILESCc1ccc(NN=[N+](C)[O-])cc1
InChIInChI=1S/C8H11N3O/c1-7-3-5-8(6-4-7)9-10-11(2)12/h3-6,9H,1-2H3
InChIKeyDHRMKQCUEJHGFA-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.91
Rot. Bonds2

About methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium

methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium (PubChem CID 171384767) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium.

Molecular Properties

Compound Namemethyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium
PubChem CID171384767
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Namemethyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium
SMILESCc1ccc(NN=[N+](C)[O-])cc1
InChIInChI=1S/C8H11N3O/c1-7-3-5-8(6-4-7)9-10-11(2)12/h3-6,9H,1-2H3
InChIKeyDHRMKQCUEJHGFA-UHFFFAOYSA-N
XLogP1.91
TPSA50.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.91
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 methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium?
The IUPAC name of methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium (CID 171384767) is methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium.
What is the SMILES notation for methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium?
The canonical SMILES for methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium is Cc1ccc(NN=[N+](C)[O-])cc1.
What is the InChIKey of methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium?
The InChIKey is DHRMKQCUEJHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-7-3-5-8(6-4-7)9-10-11(2)12/h3-6,9H,1-2H3.
What are the key properties of methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium?
methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium has a molecular weight of 165.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(4-methylphenyl)hydrazinylidene]-oxidoazanium is sourced from PubChem (CID 171384767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).