bis(oxalonitrile);hydrochloride

C4HClN4 — CID 88841544

IUPACbis(oxalonitrile);hydrochloride
SMILESCl.N#CC#N.N#CC#N
InChIInChI=1S/2C2N2.ClH/c2*3-1-2-4;/h;;1H
InChIKeyFZCZAKHZTHPZFH-UHFFFAOYSA-N
MW140.53 g/mol
LogP0.49
Rot. Bonds

About bis(oxalonitrile);hydrochloride

bis(oxalonitrile);hydrochloride (PubChem CID 88841544) has the molecular formula C4HClN4 and a molecular weight of 140.53 g/mol. Its IUPAC name is bis(oxalonitrile);hydrochloride.

Molecular Properties

Compound Namebis(oxalonitrile);hydrochloride
PubChem CID88841544
Molecular FormulaC4HClN4
Molecular Weight140.53 g/mol
Exact Mass139.99
IUPAC Namebis(oxalonitrile);hydrochloride
SMILESCl.N#CC#N.N#CC#N
InChIInChI=1S/2C2N2.ClH/c2*3-1-2-4;/h;;1H
InChIKeyFZCZAKHZTHPZFH-UHFFFAOYSA-N
XLogP0.49
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.53
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxalonitrile;hydrochloride;hydroiodide
CID 161106435
oxalonitrile;hydrobromide
CID 86604310
krypton;oxalonitrile
CID 158797974
chromium;nickel;oxalonitrile
CID 159271487
nickel;oxalonitrile;zinc
CID 160956168
acetonitrile;titanium;tetrahydrochloride
CID 174375808
carbononitridic bromide
CID 160583865
cyanic acid
CID 540
chloroform;oxalonitrile;hydrobromide
CID 88658029
oxalonitrile;sulfane;trifluoroborane
CID 175034013
oxalonitrile;thiourea
CID 160888969
methanol;thiocyanic acid;dihydrochloride
CID 172721148

Frequently Asked Questions

What is the IUPAC name of bis(oxalonitrile);hydrochloride?
The IUPAC name of bis(oxalonitrile);hydrochloride (CID 88841544) is bis(oxalonitrile);hydrochloride.
What is the SMILES notation for bis(oxalonitrile);hydrochloride?
The canonical SMILES for bis(oxalonitrile);hydrochloride is Cl.N#CC#N.N#CC#N.
What is the InChIKey of bis(oxalonitrile);hydrochloride?
The InChIKey is FZCZAKHZTHPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2N2.ClH/c2*3-1-2-4;/h;;1H.
What are the key properties of bis(oxalonitrile);hydrochloride?
bis(oxalonitrile);hydrochloride has a molecular weight of 140.53 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxalonitrile);hydrochloride is sourced from PubChem (CID 88841544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).