potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide

C20H19KN6O4 — CID 174886147

IUPACpotassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
SMILESCCO.[K+].[N-]=[N+]=Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)cccc1-c1ccccc1.[OH-]
InChIInChI=1S/C18H12N6O2.C2H6O.K.H2O/c19-23-22-18-16(13-5-2-1-3-6-13)7-4-8-17(18)21-20-14-9-11-15(12-10-14)24(25)26;1-2-3;;/h1-12H;3H,2H2,1H3;;1H2/q;;+1;/p-1/b21-20+;;;
InChIKeyRAQZAAYJBWIDIA-BFUOAJNWSA-M
MW446.51 g/mol
LogP3.44
Rot. Bonds5

About potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide

potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide (PubChem CID 174886147) has the molecular formula C20H19KN6O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide.

Molecular Properties

Compound Namepotassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
PubChem CID174886147
Molecular FormulaC20H19KN6O4
Molecular Weight446.51 g/mol
Exact Mass446.11
IUPAC Namepotassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
SMILESCCO.[K+].[N-]=[N+]=Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)cccc1-c1ccccc1.[OH-]
InChIInChI=1S/C18H12N6O2.C2H6O.K.H2O/c19-23-22-18-16(13-5-2-1-3-6-13)7-4-8-17(18)21-20-14-9-11-15(12-10-14)24(25)26;1-2-3;;/h1-12H;3H,2H2,1H3;;1H2/q;;+1;/p-1/b21-20+;;;
InChIKeyRAQZAAYJBWIDIA-BFUOAJNWSA-M
XLogP3.44
TPSA166.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide?
The IUPAC name of potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide (CID 174886147) is potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide.
What is the SMILES notation for potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide?
The canonical SMILES for potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide is CCO.[K+].[N-]=[N+]=Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)cccc1-c1ccccc1.[OH-].
What is the InChIKey of potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide?
The InChIKey is RAQZAAYJBWIDIA-BFUOAJNWSA-M. The full InChI is InChI=1S/C18H12N6O2.C2H6O.K.H2O/c19-23-22-18-16(13-5-2-1-3-6-13)7-4-8-17(18)21-20-14-9-11-15(12-10-14)24(25)26;1-2-3;;/h1-12H;3H,2H2,1H3;;1H2/q;;+1;/p-1/b21-20+;;;.
What are the key properties of potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide?
potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide has a molecular weight of 446.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide is sourced from PubChem (CID 174886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).