1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol

C16H16N4O — CID 3920214

IUPAC1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCC(C)n1c(O)c(/N=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-11(2)20-13-8-4-3-7-12(13)15(16(20)21)19-18-14-9-5-6-10-17-14/h3-11,21H,1-2H3/b19-18+
InChIKeyRRAAUZBOPPHSGC-VHEBQXMUSA-N
MW280.33 g/mol
LogP4.74
Rot. Bonds3

About 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol

1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol (PubChem CID 3920214) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol
PubChem CID3920214
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCC(C)n1c(O)c(/N=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-11(2)20-13-8-4-3-7-12(13)15(16(20)21)19-18-14-9-5-6-10-17-14/h3-11,21H,1-2H3/b19-18+
InChIKeyRRAAUZBOPPHSGC-VHEBQXMUSA-N
XLogP4.74
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.74
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 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The IUPAC name of 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol (CID 3920214) is 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol.
What is the SMILES notation for 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The canonical SMILES for 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol is CC(C)n1c(O)c(/N=N/c2ccccn2)c2ccccc21.
What is the InChIKey of 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The InChIKey is RRAAUZBOPPHSGC-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)20-13-8-4-3-7-12(13)15(16(20)21)19-18-14-9-5-6-10-17-14/h3-11,21H,1-2H3/b19-18+.
What are the key properties of 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol?
1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol has a molecular weight of 280.33 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyridin-2-yldiazenyl)indol-2-ol is sourced from PubChem (CID 3920214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).