pyrazine-1,4-dicarbonitrile

C6H4N4 — CID 87947804

IUPACpyrazine-1,4-dicarbonitrile
SMILESN#CN1C=CN(C#N)C=C1
InChIInChI=1S/C6H4N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H
InChIKeyNKYGXIXPKDNEHE-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.51
Rot. Bonds

About pyrazine-1,4-dicarbonitrile

pyrazine-1,4-dicarbonitrile (PubChem CID 87947804) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is pyrazine-1,4-dicarbonitrile.

Molecular Properties

Compound Namepyrazine-1,4-dicarbonitrile
PubChem CID87947804
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Namepyrazine-1,4-dicarbonitrile
SMILESN#CN1C=CN(C#N)C=C1
InChIInChI=1S/C6H4N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H
InChIKeyNKYGXIXPKDNEHE-UHFFFAOYSA-N
XLogP0.51
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazine-1,4-dicarbonitrile?
The IUPAC name of pyrazine-1,4-dicarbonitrile (CID 87947804) is pyrazine-1,4-dicarbonitrile.
What is the SMILES notation for pyrazine-1,4-dicarbonitrile?
The canonical SMILES for pyrazine-1,4-dicarbonitrile is N#CN1C=CN(C#N)C=C1.
What is the InChIKey of pyrazine-1,4-dicarbonitrile?
The InChIKey is NKYGXIXPKDNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H.
What are the key properties of pyrazine-1,4-dicarbonitrile?
pyrazine-1,4-dicarbonitrile has a molecular weight of 132.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-1,4-dicarbonitrile is sourced from PubChem (CID 87947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).