2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone

C10H15N5OS — CID 106679402

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
SMILESNc1nccnc1SCC(=O)N1CCNCC1
InChIInChI=1S/C10H15N5OS/c11-9-10(14-2-1-13-9)17-7-8(16)15-5-3-12-4-6-15/h1-2,12H,3-7H2,(H2,11,13)
InChIKeyPNLAZXYJPLVHAZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.42
Rot. Bonds3

About 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone

2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone (PubChem CID 106679402) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
PubChem CID106679402
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
SMILESNc1nccnc1SCC(=O)N1CCNCC1
InChIInChI=1S/C10H15N5OS/c11-9-10(14-2-1-13-9)17-7-8(16)15-5-3-12-4-6-15/h1-2,12H,3-7H2,(H2,11,13)
InChIKeyPNLAZXYJPLVHAZ-UHFFFAOYSA-N
XLogP-0.42
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 106678701
2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 106678772
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 43842181
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
2-pyrimidin-2-ylsulfanyl-1-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 1239284
2-(3-amino-2-methylphenyl)sulfanyl-1-piperazin-1-ylethanone
CID 79143784
2-(3-aminopyrazin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 106678756
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 106924584
2-(6-amino-5-chloropyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 114236383
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236389

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone (CID 106679402) is 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone is Nc1nccnc1SCC(=O)N1CCNCC1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone?
The InChIKey is PNLAZXYJPLVHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c11-9-10(14-2-1-13-9)17-7-8(16)15-5-3-12-4-6-15/h1-2,12H,3-7H2,(H2,11,13).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone?
2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone has a molecular weight of 253.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone is sourced from PubChem (CID 106679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).