2-(4-methylsulfanylpiperazin-1-yl)pyrazine

C9H14N4S — CID 142028272

IUPAC2-(4-methylsulfanylpiperazin-1-yl)pyrazine
SMILESCSN1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H14N4S/c1-14-13-6-4-12(5-7-13)9-8-10-2-3-11-9/h2-3,8H,4-7H2,1H3
InChIKeyJQBKHJOFHDXRJP-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.88
Rot. Bonds2

About 2-(4-methylsulfanylpiperazin-1-yl)pyrazine

2-(4-methylsulfanylpiperazin-1-yl)pyrazine (PubChem CID 142028272) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-(4-methylsulfanylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-methylsulfanylpiperazin-1-yl)pyrazine
PubChem CID142028272
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-(4-methylsulfanylpiperazin-1-yl)pyrazine
SMILESCSN1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H14N4S/c1-14-13-6-4-12(5-7-13)9-8-10-2-3-11-9/h2-3,8H,4-7H2,1H3
InChIKeyJQBKHJOFHDXRJP-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-pyrazin-2-ylpiperidin-4-one
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3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
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2-(4-bromopiperidin-1-yl)pyrazine
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2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
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4-(4-pyrazin-2-ylpiperazin-1-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-methylsulfanylpiperazin-1-yl)pyrazine (CID 142028272) is 2-(4-methylsulfanylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-methylsulfanylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-methylsulfanylpiperazin-1-yl)pyrazine is CSN1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-methylsulfanylpiperazin-1-yl)pyrazine?
The InChIKey is JQBKHJOFHDXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-14-13-6-4-12(5-7-13)9-8-10-2-3-11-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(4-methylsulfanylpiperazin-1-yl)pyrazine?
2-(4-methylsulfanylpiperazin-1-yl)pyrazine has a molecular weight of 210.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 142028272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).