1-(aminodiazenyl)oxy-2-methylbenzene

C7H9N3O — CID 69446415

IUPAC1-(aminodiazenyl)oxy-2-methylbenzene
SMILESCc1ccccc1ON=NN
InChIInChI=1S/C7H9N3O/c1-6-4-2-3-5-7(6)11-10-9-8/h2-5H,1H3,(H2,8,10)
InChIKeyIVXPQAFVSVMKEP-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.61
Rot. Bonds2

About 1-(aminodiazenyl)oxy-2-methylbenzene

1-(aminodiazenyl)oxy-2-methylbenzene (PubChem CID 69446415) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(aminodiazenyl)oxy-2-methylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)oxy-2-methylbenzene
PubChem CID69446415
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-(aminodiazenyl)oxy-2-methylbenzene
SMILESCc1ccccc1ON=NN
InChIInChI=1S/C7H9N3O/c1-6-4-2-3-5-7(6)11-10-9-8/h2-5H,1H3,(H2,8,10)
InChIKeyIVXPQAFVSVMKEP-UHFFFAOYSA-N
XLogP1.61
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.61
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(aminodiazenyl)oxy-2-methylbenzene 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 1-(aminodiazenyl)oxy-2-methylbenzene?
The IUPAC name of 1-(aminodiazenyl)oxy-2-methylbenzene (CID 69446415) is 1-(aminodiazenyl)oxy-2-methylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)oxy-2-methylbenzene?
The canonical SMILES for 1-(aminodiazenyl)oxy-2-methylbenzene is Cc1ccccc1ON=NN.
What is the InChIKey of 1-(aminodiazenyl)oxy-2-methylbenzene?
The InChIKey is IVXPQAFVSVMKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6-4-2-3-5-7(6)11-10-9-8/h2-5H,1H3,(H2,8,10).
What are the key properties of 1-(aminodiazenyl)oxy-2-methylbenzene?
1-(aminodiazenyl)oxy-2-methylbenzene has a molecular weight of 151.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)oxy-2-methylbenzene is sourced from PubChem (CID 69446415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).