2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine

C9H10N4S — CID 123137597

IUPAC2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine
SMILESCSc1cnc(-n2ccc(C)n2)cn1
InChIInChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-11-9(14-2)6-10-8/h3-6H,1-2H3
InChIKeyQOQXWHSJESUNEQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.69
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine

2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine (PubChem CID 123137597) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine
PubChem CID123137597
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine
SMILESCSc1cnc(-n2ccc(C)n2)cn1
InChIInChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-11-9(14-2)6-10-8/h3-6H,1-2H3
InChIKeyQOQXWHSJESUNEQ-UHFFFAOYSA-N
XLogP1.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine (CID 123137597) is 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine is CSc1cnc(-n2ccc(C)n2)cn1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine?
The InChIKey is QOQXWHSJESUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-7-3-4-13(12-7)8-5-11-9(14-2)6-10-8/h3-6H,1-2H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine?
2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine has a molecular weight of 206.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-5-methylsulfanylpyrazine is sourced from PubChem (CID 123137597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).