4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile

C9H10N4O — CID 12546896

IUPAC4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile
SMILESCN(CO)/N=N/c1ccc(C#N)cc1
InChIInChI=1S/C9H10N4O/c1-13(7-14)12-11-9-4-2-8(6-10)3-5-9/h2-5,14H,7H2,1H3/b12-11+
InChIKeyJMWWKQWAGXVVLS-VAWYXSNFSA-N
MW190.21 g/mol
LogP1.44
Rot. Bonds3

About 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile

4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile (PubChem CID 12546896) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile.

Molecular Properties

Compound Name4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile
PubChem CID12546896
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile
SMILESCN(CO)/N=N/c1ccc(C#N)cc1
InChIInChI=1S/C9H10N4O/c1-13(7-14)12-11-9-4-2-8(6-10)3-5-9/h2-5,14H,7H2,1H3/b12-11+
InChIKeyJMWWKQWAGXVVLS-VAWYXSNFSA-N
XLogP1.44
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile 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 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile?
The IUPAC name of 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile (CID 12546896) is 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile.
What is the SMILES notation for 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile?
The canonical SMILES for 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile is CN(CO)/N=N/c1ccc(C#N)cc1.
What is the InChIKey of 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile?
The InChIKey is JMWWKQWAGXVVLS-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(7-14)12-11-9-4-2-8(6-10)3-5-9/h2-5,14H,7H2,1H3/b12-11+.
What are the key properties of 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile?
4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile has a molecular weight of 190.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hydroxymethyl(methyl)amino]diazenyl]benzonitrile is sourced from PubChem (CID 12546896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).