4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol

C14H15N3O3 — CID 136714423

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
SMILESCN(C)c1ccc(/N=N/c2ccc(O)c(O)c2O)cc1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-5-3-9(4-6-10)15-16-11-7-8-12(18)14(20)13(11)19/h3-8,18-20H,1-2H3/b16-15+
InChIKeyBVQVGYJGVMUWIM-FOCLMDBBSA-N
MW273.29 g/mol
LogP3.28
Rot. Bonds3

About 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol

4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol (PubChem CID 136714423) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
PubChem CID136714423
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
SMILESCN(C)c1ccc(/N=N/c2ccc(O)c(O)c2O)cc1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-5-3-9(4-6-10)15-16-11-7-8-12(18)14(20)13(11)19/h3-8,18-20H,1-2H3/b16-15+
InChIKeyBVQVGYJGVMUWIM-FOCLMDBBSA-N
XLogP3.28
TPSA88.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 90129084
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 167289773
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
CID 88907308
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]benzene-1,2,3-triol
CID 103953108

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol (CID 136714423) is 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol is CN(C)c1ccc(/N=N/c2ccc(O)c(O)c2O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol?
The InChIKey is BVQVGYJGVMUWIM-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(2)10-5-3-9(4-6-10)15-16-11-7-8-12(18)14(20)13(11)19/h3-8,18-20H,1-2H3/b16-15+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol?
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol has a molecular weight of 273.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol is sourced from PubChem (CID 136714423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).