disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride

C16H15N3Na2O — CID 173060250

IUPACdisodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride
SMILESNc1cccc2ccc(/N=N/c3ccccc3)c(O)c12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H13N3O.2Na.2H/c17-13-8-4-5-11-9-10-14(16(20)15(11)13)19-18-12-6-2-1-3-7-12;;;;/h1-10,20H,17H2;;;;/q;2*+1;2*-1/b19-18+;;;;
InChIKeyVIRTURHDUMEECV-UJWNJGKXSA-N
MW311.30 g/mol
LogP-1.22
Rot. Bonds2

About disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride

disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride (PubChem CID 173060250) has the molecular formula C16H15N3Na2O and a molecular weight of 311.30 g/mol. Its IUPAC name is disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride.

Molecular Properties

Compound Namedisodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride
PubChem CID173060250
Molecular FormulaC16H15N3Na2O
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Namedisodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride
SMILESNc1cccc2ccc(/N=N/c3ccccc3)c(O)c12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C16H13N3O.2Na.2H/c17-13-8-4-5-11-9-10-14(16(20)15(11)13)19-18-12-6-2-1-3-7-12;;;;/h1-10,20H,17H2;;;;/q;2*+1;2*-1/b19-18+;;;;
InChIKeyVIRTURHDUMEECV-UJWNJGKXSA-N
XLogP-1.22
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride?
The IUPAC name of disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride (CID 173060250) is disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride.
What is the SMILES notation for disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride?
The canonical SMILES for disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride is Nc1cccc2ccc(/N=N/c3ccccc3)c(O)c12.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride?
The InChIKey is VIRTURHDUMEECV-UJWNJGKXSA-N. The full InChI is InChI=1S/C16H13N3O.2Na.2H/c17-13-8-4-5-11-9-10-14(16(20)15(11)13)19-18-12-6-2-1-3-7-12;;;;/h1-10,20H,17H2;;;;/q;2*+1;2*-1/b19-18+;;;;.
What are the key properties of disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride?
disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride has a molecular weight of 311.30 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride is sourced from PubChem (CID 173060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).