N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide

C13H14N4O — CID 102057168

IUPACN,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
SMILESC[N+](C)([O-])c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C13H14N4O/c1-17(2,18)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3/b16-15+
InChIKeyMAAZZDGTSFJAAF-FOCLMDBBSA-N
MW242.28 g/mol
LogP3.56
Rot. Bonds3

About N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide

N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide (PubChem CID 102057168) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide.

Molecular Properties

Compound NameN,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
PubChem CID102057168
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
SMILESC[N+](C)([O-])c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C13H14N4O/c1-17(2,18)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3/b16-15+
InChIKeyMAAZZDGTSFJAAF-FOCLMDBBSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dipyridin-2-yldiazene;osmium
CID 173074203
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 172638148
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
disodium;4-(pyridin-2-yldiazenyl)benzene-1,3-diolate;dihydrate
CID 2735125
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
naphthalen-1-yl-[3-[4-(pyridin-2-yldiazenyl)phenyl]phenyl]diazene
CID 173000934
[3-diazenyl-2-(naphthalen-2-yldiazenyl)phenyl]-pyridin-2-yldiazene
CID 54379660
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
CID 160972528
2H-pyran-6-yl(pyridin-2-yl)diazene
CID 91012404
(E)-pyridin-2-yliminothiourea
CID 177497182

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide?
The IUPAC name of N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide (CID 102057168) is N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide.
What is the SMILES notation for N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide?
The canonical SMILES for N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide is C[N+](C)([O-])c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide?
The InChIKey is MAAZZDGTSFJAAF-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(2,18)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3/b16-15+.
What are the key properties of N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide?
N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide has a molecular weight of 242.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide is sourced from PubChem (CID 102057168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).