acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile

C10H15N5 — CID 160646643

IUPACacetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
SMILESCC#N.CC(C)(C#N)/N=N/C(C)(C)C#N
InChIInChI=1S/C8H12N4.C2H3N/c1-7(2,5-9)11-12-8(3,4)6-10;1-2-3/h1-4H3;1H3/b12-11+;
InChIKeyRJWDNCDADHLRGJ-CALJPSDSSA-N
MW205.26 g/mol
LogP2.57
Rot. Bonds2

About acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile

acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile (PubChem CID 160646643) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Nameacetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
PubChem CID160646643
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Nameacetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
SMILESCC#N.CC(C)(C#N)/N=N/C(C)(C)C#N
InChIInChI=1S/C8H12N4.C2H3N/c1-7(2,5-9)11-12-8(3,4)6-10;1-2-3/h1-4H3;1H3/b12-11+;
InChIKeyRJWDNCDADHLRGJ-CALJPSDSSA-N
XLogP2.57
TPSA96.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile?
The IUPAC name of acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile (CID 160646643) is acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile.
What is the SMILES notation for acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile?
The canonical SMILES for acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile is CC#N.CC(C)(C#N)/N=N/C(C)(C)C#N.
What is the InChIKey of acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile?
The InChIKey is RJWDNCDADHLRGJ-CALJPSDSSA-N. The full InChI is InChI=1S/C8H12N4.C2H3N/c1-7(2,5-9)11-12-8(3,4)6-10;1-2-3/h1-4H3;1H3/b12-11+;.
What are the key properties of acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile?
acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile has a molecular weight of 205.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile is sourced from PubChem (CID 160646643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).