6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile

C13H16N4 — CID 164643182

IUPAC6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC[C@H]2C2CCC2)n1
InChIInChI=1S/C13H16N4/c14-7-11-8-15-9-13(16-11)17-6-2-5-12(17)10-3-1-4-10/h8-10,12H,1-6H2/t12-/m0/s1
InChIKeyFGLBYQAMFOTRIK-LBPRGKRZSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds2

About 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile

6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 164643182) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID164643182
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC[C@H]2C2CCC2)n1
InChIInChI=1S/C13H16N4/c14-7-11-8-15-9-13(16-11)17-6-2-5-12(17)10-3-1-4-10/h8-10,12H,1-6H2/t12-/m0/s1
InChIKeyFGLBYQAMFOTRIK-LBPRGKRZSA-N
XLogP2.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 164643182) is 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCC[C@H]2C2CCC2)n1.
What is the InChIKey of 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FGLBYQAMFOTRIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4/c14-7-11-8-15-9-13(16-11)17-6-2-5-12(17)10-3-1-4-10/h8-10,12H,1-6H2/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-cyclobutylpyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 164643182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).