2-(chlorodiazenyl)-2-methylpropanenitrile

C4H6ClN3 — CID 90268545

IUPAC2-(chlorodiazenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)/N=N/Cl
InChIInChI=1S/C4H6ClN3/c1-4(2,3-6)7-8-5/h1-2H3/b8-7+
InChIKeyDEDWZOABMYWRSC-BQYQJAHWSA-N
MW131.57 g/mol
LogP1.89
Rot. Bonds1

About 2-(chlorodiazenyl)-2-methylpropanenitrile

2-(chlorodiazenyl)-2-methylpropanenitrile (PubChem CID 90268545) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 2-(chlorodiazenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(chlorodiazenyl)-2-methylpropanenitrile
PubChem CID90268545
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name2-(chlorodiazenyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)/N=N/Cl
InChIInChI=1S/C4H6ClN3/c1-4(2,3-6)7-8-5/h1-2H3/b8-7+
InChIKeyDEDWZOABMYWRSC-BQYQJAHWSA-N
XLogP1.89
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chlorodiazenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(chlorodiazenyl)-2-methylpropanenitrile (CID 90268545) is 2-(chlorodiazenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(chlorodiazenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(chlorodiazenyl)-2-methylpropanenitrile is CC(C)(C#N)/N=N/Cl.
What is the InChIKey of 2-(chlorodiazenyl)-2-methylpropanenitrile?
The InChIKey is DEDWZOABMYWRSC-BQYQJAHWSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-4(2,3-6)7-8-5/h1-2H3/b8-7+.
What are the key properties of 2-(chlorodiazenyl)-2-methylpropanenitrile?
2-(chlorodiazenyl)-2-methylpropanenitrile has a molecular weight of 131.57 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chlorodiazenyl)-2-methylpropanenitrile is sourced from PubChem (CID 90268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).