1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile

C11H8N6 — CID 112595850

IUPAC1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
SMILESCc1cnc(C)c(-n2cnc(C#N)c2C#N)n1
InChIInChI=1S/C11H8N6/c1-7-5-14-8(2)11(16-7)17-6-15-9(3-12)10(17)4-13/h5-6H,1-2H3
InChIKeyUBIQLQPECOXAHV-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.02
Rot. Bonds1

About 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile

1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile (PubChem CID 112595850) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
PubChem CID112595850
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
SMILESCc1cnc(C)c(-n2cnc(C#N)c2C#N)n1
InChIInChI=1S/C11H8N6/c1-7-5-14-8(2)11(16-7)17-6-15-9(3-12)10(17)4-13/h5-6H,1-2H3
InChIKeyUBIQLQPECOXAHV-UHFFFAOYSA-N
XLogP1.02
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile (CID 112595850) is 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile is Cc1cnc(C)c(-n2cnc(C#N)c2C#N)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile?
The InChIKey is UBIQLQPECOXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c1-7-5-14-8(2)11(16-7)17-6-15-9(3-12)10(17)4-13/h5-6H,1-2H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile?
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile has a molecular weight of 224.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).