3-(benzenesulfinyl)pyrazine-2-carbonitrile

C11H7N3OS — CID 14646130

IUPAC3-(benzenesulfinyl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1S(=O)c1ccccc1
InChIInChI=1S/C11H7N3OS/c12-8-10-11(14-7-6-13-10)16(15)9-4-2-1-3-5-9/h1-7H
InChIKeyXKAYCNDITXJGFI-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.51
Rot. Bonds2

About 3-(benzenesulfinyl)pyrazine-2-carbonitrile

3-(benzenesulfinyl)pyrazine-2-carbonitrile (PubChem CID 14646130) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(benzenesulfinyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(benzenesulfinyl)pyrazine-2-carbonitrile
PubChem CID14646130
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name3-(benzenesulfinyl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1S(=O)c1ccccc1
InChIInChI=1S/C11H7N3OS/c12-8-10-11(14-7-6-13-10)16(15)9-4-2-1-3-5-9/h1-7H
InChIKeyXKAYCNDITXJGFI-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(benzenesulfinyl)pyrazine-2-carbonitrile (CID 14646130) is 3-(benzenesulfinyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(benzenesulfinyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(benzenesulfinyl)pyrazine-2-carbonitrile is N#Cc1nccnc1S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)pyrazine-2-carbonitrile?
The InChIKey is XKAYCNDITXJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-8-10-11(14-7-6-13-10)16(15)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 3-(benzenesulfinyl)pyrazine-2-carbonitrile?
3-(benzenesulfinyl)pyrazine-2-carbonitrile has a molecular weight of 229.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 14646130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).