2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C12H16N8O — CID 61107847

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESNc1ncn(CC(=O)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C12H16N8O/c13-12-16-9-20(17-12)8-11(21)19-5-3-18(4-6-19)10-7-14-1-2-15-10/h1-2,7,9H,3-6,8H2,(H2,13,17)
InChIKeyOEPLLBUWFBNCFR-UHFFFAOYSA-N
MW288.31 g/mol
LogP-1.00
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 61107847) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID61107847
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESNc1ncn(CC(=O)N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C12H16N8O/c13-12-16-9-20(17-12)8-11(21)19-5-3-18(4-6-19)10-7-14-1-2-15-10/h1-2,7,9H,3-6,8H2,(H2,13,17)
InChIKeyOEPLLBUWFBNCFR-UHFFFAOYSA-N
XLogP-1.00
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
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3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
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1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
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2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
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2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
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2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
2-(3-amino-1,2,4-triazol-1-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 107210992
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 61107847) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is Nc1ncn(CC(=O)N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OEPLLBUWFBNCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O/c13-12-16-9-20(17-12)8-11(21)19-5-3-18(4-6-19)10-7-14-1-2-15-10/h1-2,7,9H,3-6,8H2,(H2,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 288.31 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61107847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).