2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol

C12H12N4O — CID 136968902

IUPAC2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol
SMILESC/N=N/C/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C12H12N4O/c1-13-14-8-15-16-11-7-6-9-4-2-3-5-10(9)12(11)17/h2-7,17H,8H2,1H3/b14-13+,16-15+
InChIKeyYEJQWQKDRTWDRC-ZBMVRHCNSA-N
MW228.25 g/mol
LogP3.67
Rot. Bonds3

About 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol

2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol (PubChem CID 136968902) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol
PubChem CID136968902
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol
SMILESC/N=N/C/N=N/c1ccc2ccccc2c1O
InChIInChI=1S/C12H12N4O/c1-13-14-8-15-16-11-7-6-9-4-2-3-5-10(9)12(11)17/h2-7,17H,8H2,1H3/b14-13+,16-15+
InChIKeyYEJQWQKDRTWDRC-ZBMVRHCNSA-N
XLogP3.67
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol?
The IUPAC name of 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol (CID 136968902) is 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol?
The canonical SMILES for 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol is C/N=N/C/N=N/c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol?
The InChIKey is YEJQWQKDRTWDRC-ZBMVRHCNSA-N. The full InChI is InChI=1S/C12H12N4O/c1-13-14-8-15-16-11-7-6-9-4-2-3-5-10(9)12(11)17/h2-7,17H,8H2,1H3/b14-13+,16-15+.
What are the key properties of 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol?
2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol has a molecular weight of 228.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methyldiazenyl)methyldiazenyl]naphthalen-1-ol is sourced from PubChem (CID 136968902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).