6-pyrazin-2-ylpyrazine-2-carbonitrile

C9H5N5 — CID 175750943

IUPAC6-pyrazin-2-ylpyrazine-2-carbonitrile
SMILESN#Cc1cncc(-c2cnccn2)n1
InChIInChI=1S/C9H5N5/c10-3-7-4-12-6-9(14-7)8-5-11-1-2-13-8/h1-2,4-6H
InChIKeyNFIHNULSLGAOKK-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.81
Rot. Bonds1

About 6-pyrazin-2-ylpyrazine-2-carbonitrile

6-pyrazin-2-ylpyrazine-2-carbonitrile (PubChem CID 175750943) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is 6-pyrazin-2-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-pyrazin-2-ylpyrazine-2-carbonitrile
PubChem CID175750943
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Name6-pyrazin-2-ylpyrazine-2-carbonitrile
SMILESN#Cc1cncc(-c2cnccn2)n1
InChIInChI=1S/C9H5N5/c10-3-7-4-12-6-9(14-7)8-5-11-1-2-13-8/h1-2,4-6H
InChIKeyNFIHNULSLGAOKK-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazin-2-ylpyrazine-2-carbonitrile?
The IUPAC name of 6-pyrazin-2-ylpyrazine-2-carbonitrile (CID 175750943) is 6-pyrazin-2-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 6-pyrazin-2-ylpyrazine-2-carbonitrile?
The canonical SMILES for 6-pyrazin-2-ylpyrazine-2-carbonitrile is N#Cc1cncc(-c2cnccn2)n1.
What is the InChIKey of 6-pyrazin-2-ylpyrazine-2-carbonitrile?
The InChIKey is NFIHNULSLGAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c10-3-7-4-12-6-9(14-7)8-5-11-1-2-13-8/h1-2,4-6H.
What are the key properties of 6-pyrazin-2-ylpyrazine-2-carbonitrile?
6-pyrazin-2-ylpyrazine-2-carbonitrile has a molecular weight of 183.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazin-2-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 175750943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).