2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene

C17H26N4O — CID 89052221

IUPAC2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene
SMILESCC(C)(C#N)/N=N/C(C)(C)C#N.CCO.Cc1ccccc1
InChIInChI=1S/C8H12N4.C7H8.C2H6O/c1-7(2,5-9)11-12-8(3,4)6-10;1-7-5-3-2-4-6-7;1-2-3/h1-4H3;2-6H,1H3;3H,2H2,1H3/b12-11+;;
InChIKeyRPDMYEYWXJGRIH-YHPRVSEPSA-N
MW302.42 g/mol
LogP4.04
Rot. Bonds2

About 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene

2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene (PubChem CID 89052221) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene
PubChem CID89052221
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene
SMILESCC(C)(C#N)/N=N/C(C)(C)C#N.CCO.Cc1ccccc1
InChIInChI=1S/C8H12N4.C7H8.C2H6O/c1-7(2,5-9)11-12-8(3,4)6-10;1-7-5-3-2-4-6-7;1-2-3/h1-4H3;2-6H,1H3;3H,2H2,1H3/b12-11+;;
InChIKeyRPDMYEYWXJGRIH-YHPRVSEPSA-N
XLogP4.04
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.04
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene?
The IUPAC name of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene (CID 89052221) is 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene.
What is the SMILES notation for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene?
The canonical SMILES for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene is CC(C)(C#N)/N=N/C(C)(C)C#N.CCO.Cc1ccccc1.
What is the InChIKey of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene?
The InChIKey is RPDMYEYWXJGRIH-YHPRVSEPSA-N. The full InChI is InChI=1S/C8H12N4.C7H8.C2H6O/c1-7(2,5-9)11-12-8(3,4)6-10;1-7-5-3-2-4-6-7;1-2-3/h1-4H3;2-6H,1H3;3H,2H2,1H3/b12-11+;;.
What are the key properties of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene?
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene has a molecular weight of 302.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;ethanol;toluene is sourced from PubChem (CID 89052221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).