bis(acetonitrile);azane;ethene

C6H16N4 — CID 173455151

IUPACbis(acetonitrile);azane;ethene
SMILESC=C.CC#N.CC#N.N.N
InChIInChI=1S/2C2H3N.C2H4.2H3N/c2*1-2-3;1-2;;/h2*1H3;1-2H2;2*1H3
InChIKeyKDJNDLJGVYHLAC-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.19
Rot. Bonds

About bis(acetonitrile);azane;ethene

bis(acetonitrile);azane;ethene (PubChem CID 173455151) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is bis(acetonitrile);azane;ethene.

Molecular Properties

Compound Namebis(acetonitrile);azane;ethene
PubChem CID173455151
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Namebis(acetonitrile);azane;ethene
SMILESC=C.CC#N.CC#N.N.N
InChIInChI=1S/2C2H3N.C2H4.2H3N/c2*1-2-3;1-2;;/h2*1H3;1-2H2;2*1H3
InChIKeyKDJNDLJGVYHLAC-UHFFFAOYSA-N
XLogP2.19
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
acetonitrile;ethane-1,2-diol;ethene
CID 130408546
acetonitrile;bromomethane
CID 22594519
acetonitrile;platinum;hydrochloride
CID 88688012
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CID 174780013
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CID 175350434
acetonitrile;titanium;tetrahydrochloride
CID 174375808

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);azane;ethene?
The IUPAC name of bis(acetonitrile);azane;ethene (CID 173455151) is bis(acetonitrile);azane;ethene.
What is the SMILES notation for bis(acetonitrile);azane;ethene?
The canonical SMILES for bis(acetonitrile);azane;ethene is C=C.CC#N.CC#N.N.N.
What is the InChIKey of bis(acetonitrile);azane;ethene?
The InChIKey is KDJNDLJGVYHLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.C2H4.2H3N/c2*1-2-3;1-2;;/h2*1H3;1-2H2;2*1H3.
What are the key properties of bis(acetonitrile);azane;ethene?
bis(acetonitrile);azane;ethene has a molecular weight of 144.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);azane;ethene is sourced from PubChem (CID 173455151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).