(aminodiazenyl)methylbenzene;ethanol

C9H15N3O — CID 23124031

IUPAC(aminodiazenyl)methylbenzene;ethanol
SMILESCCO.N/N=N/Cc1ccccc1
InChIInChI=1S/C7H9N3.C2H6O/c8-10-9-6-7-4-2-1-3-5-7;1-2-3/h1-5H,6H2,(H2,8,9);3H,2H2,1H3
InChIKeyHVJOJRBNJIBLKO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.51
Rot. Bonds2

About (aminodiazenyl)methylbenzene;ethanol

(aminodiazenyl)methylbenzene;ethanol (PubChem CID 23124031) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (aminodiazenyl)methylbenzene;ethanol.

Molecular Properties

Compound Name(aminodiazenyl)methylbenzene;ethanol
PubChem CID23124031
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(aminodiazenyl)methylbenzene;ethanol
SMILESCCO.N/N=N/Cc1ccccc1
InChIInChI=1S/C7H9N3.C2H6O/c8-10-9-6-7-4-2-1-3-5-7;1-2-3/h1-5H,6H2,(H2,8,9);3H,2H2,1H3
InChIKeyHVJOJRBNJIBLKO-UHFFFAOYSA-N
XLogP1.51
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (aminodiazenyl)methylbenzene;ethanol?
The IUPAC name of (aminodiazenyl)methylbenzene;ethanol (CID 23124031) is (aminodiazenyl)methylbenzene;ethanol.
What is the SMILES notation for (aminodiazenyl)methylbenzene;ethanol?
The canonical SMILES for (aminodiazenyl)methylbenzene;ethanol is CCO.N/N=N/Cc1ccccc1.
What is the InChIKey of (aminodiazenyl)methylbenzene;ethanol?
The InChIKey is HVJOJRBNJIBLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6O/c8-10-9-6-7-4-2-1-3-5-7;1-2-3/h1-5H,6H2,(H2,8,9);3H,2H2,1H3.
What are the key properties of (aminodiazenyl)methylbenzene;ethanol?
(aminodiazenyl)methylbenzene;ethanol has a molecular weight of 181.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (aminodiazenyl)methylbenzene;ethanol is sourced from PubChem (CID 23124031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).