2-cyclopropyloxy-5-methylsulfanylpyrazine

C8H10N2OS — CID 130057471

IUPAC2-cyclopropyloxy-5-methylsulfanylpyrazine
SMILESCSc1cnc(OC2CC2)cn1
InChIInChI=1S/C8H10N2OS/c1-12-8-5-9-7(4-10-8)11-6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyBGAPWFLZWQHMRY-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.74
Rot. Bonds3

About 2-cyclopropyloxy-5-methylsulfanylpyrazine

2-cyclopropyloxy-5-methylsulfanylpyrazine (PubChem CID 130057471) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-cyclopropyloxy-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-cyclopropyloxy-5-methylsulfanylpyrazine
PubChem CID130057471
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-cyclopropyloxy-5-methylsulfanylpyrazine
SMILESCSc1cnc(OC2CC2)cn1
InChIInChI=1S/C8H10N2OS/c1-12-8-5-9-7(4-10-8)11-6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyBGAPWFLZWQHMRY-UHFFFAOYSA-N
XLogP1.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-5-methylsulfanylpyrazine?
The IUPAC name of 2-cyclopropyloxy-5-methylsulfanylpyrazine (CID 130057471) is 2-cyclopropyloxy-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-cyclopropyloxy-5-methylsulfanylpyrazine?
The canonical SMILES for 2-cyclopropyloxy-5-methylsulfanylpyrazine is CSc1cnc(OC2CC2)cn1.
What is the InChIKey of 2-cyclopropyloxy-5-methylsulfanylpyrazine?
The InChIKey is BGAPWFLZWQHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12-8-5-9-7(4-10-8)11-6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 2-cyclopropyloxy-5-methylsulfanylpyrazine?
2-cyclopropyloxy-5-methylsulfanylpyrazine has a molecular weight of 182.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-5-methylsulfanylpyrazine is sourced from PubChem (CID 130057471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).