1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

C11H17N5O — CID 80766880

IUPAC1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCNc1cncc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-9(17)15-3-5-16(6-4-15)11-8-13-7-10(12-2)14-11/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyBUAQJUTZFQPTKF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds2

About 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 80766880) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID80766880
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCNc1cncc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C11H17N5O/c1-9(17)15-3-5-16(6-4-15)11-8-13-7-10(12-2)14-11/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyBUAQJUTZFQPTKF-UHFFFAOYSA-N
XLogP0.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
CID 80823874
3-methyl-1-[6-(methylamino)pyrazin-2-yl]pyrrolidine-3-carboxamide
CID 114082567
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrazin-2-amine
CID 80775737
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123957243
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 80831870
N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrazin-2-amine
CID 102746695
N-methyl-6-(3-methylazepan-1-yl)pyrazin-2-amine
CID 170000459
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrazin-2-amine
CID 80767778
1-[4-[5-(methylamino)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 104533805
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 81469556
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (CID 80766880) is 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is CNc1cncc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is BUAQJUTZFQPTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(17)15-3-5-16(6-4-15)11-8-13-7-10(12-2)14-11/h7-8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80766880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).