4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile

C15H12N4S — CID 99839272

IUPAC4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile
SMILESC[C@@H](Sc1nccn2ccnc12)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N4S/c1-11(13-4-2-12(10-16)3-5-13)20-15-14-17-6-8-19(14)9-7-18-15/h2-9,11H,1H3/t11-/m1/s1
InChIKeyAIUGQQWJZFSFFR-LLVKDONJSA-N
MW280.36 g/mol
LogP3.45
Rot. Bonds3

About 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile

4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile (PubChem CID 99839272) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile
PubChem CID99839272
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile
SMILESC[C@@H](Sc1nccn2ccnc12)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N4S/c1-11(13-4-2-12(10-16)3-5-13)20-15-14-17-6-8-19(14)9-7-18-15/h2-9,11H,1H3/t11-/m1/s1
InChIKeyAIUGQQWJZFSFFR-LLVKDONJSA-N
XLogP3.45
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile (CID 99839272) is 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile is C[C@@H](Sc1nccn2ccnc12)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile?
The InChIKey is AIUGQQWJZFSFFR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H12N4S/c1-11(13-4-2-12(10-16)3-5-13)20-15-14-17-6-8-19(14)9-7-18-15/h2-9,11H,1H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile?
4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile has a molecular weight of 280.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-imidazo[1,2-a]pyrazin-8-ylsulfanylethyl]benzonitrile is sourced from PubChem (CID 99839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).