8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine

C17H13N3S — CID 71092261

IUPAC8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine
SMILESCSc1nccn2cc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C17H13N3S/c1-21-17-16-19-15(11-20(16)9-8-18-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyAOACKPXBALPREH-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.27
Rot. Bonds2

About 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine

8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine (PubChem CID 71092261) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine
PubChem CID71092261
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine
SMILESCSc1nccn2cc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C17H13N3S/c1-21-17-16-19-15(11-20(16)9-8-18-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyAOACKPXBALPREH-UHFFFAOYSA-N
XLogP4.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine (CID 71092261) is 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine is CSc1nccn2cc(-c3ccc4ccccc4c3)nc12.
What is the InChIKey of 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is AOACKPXBALPREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-21-17-16-19-15(11-20(16)9-8-18-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3.
What are the key properties of 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine?
8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 291.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-2-naphthalen-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 71092261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).