2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile

C12H20N4O2 — CID 175752750

IUPAC2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile
SMILESCC(C)(C#N)/N=N/C(C)(C#N)C(CCO)CCO
InChIInChI=1S/C12H20N4O2/c1-11(2,8-13)15-16-12(3,9-14)10(4-6-17)5-7-18/h10,17-18H,4-7H2,1-3H3/b16-15+
InChIKeyHLRSDHQZEQOAAT-FOCLMDBBSA-N
MW252.32 g/mol
LogP1.40
Rot. Bonds7

About 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile

2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile (PubChem CID 175752750) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile
PubChem CID175752750
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile
SMILESCC(C)(C#N)/N=N/C(C)(C#N)C(CCO)CCO
InChIInChI=1S/C12H20N4O2/c1-11(2,8-13)15-16-12(3,9-14)10(4-6-17)5-7-18/h10,17-18H,4-7H2,1-3H3/b16-15+
InChIKeyHLRSDHQZEQOAAT-FOCLMDBBSA-N
XLogP1.40
TPSA112.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile?
The IUPAC name of 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile (CID 175752750) is 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile?
The canonical SMILES for 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile is CC(C)(C#N)/N=N/C(C)(C#N)C(CCO)CCO.
What is the InChIKey of 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile?
The InChIKey is HLRSDHQZEQOAAT-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(2,8-13)15-16-12(3,9-14)10(4-6-17)5-7-18/h10,17-18H,4-7H2,1-3H3/b16-15+.
What are the key properties of 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile?
2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile has a molecular weight of 252.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile is sourced from PubChem (CID 175752750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).