2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone

C12H19N5O — CID 55021072

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1cnc(C)c(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O/c1-9-7-14-10(2)12(16-9)15-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyBQUHQUSHTVWXOO-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone

2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 55021072) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID55021072
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1cnc(C)c(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O/c1-9-7-14-10(2)12(16-9)15-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyBQUHQUSHTVWXOO-UHFFFAOYSA-N
XLogP-0.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone (CID 55021072) is 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone is Cc1cnc(C)c(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is BQUHQUSHTVWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-7-14-10(2)12(16-9)15-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone?
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 249.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 55021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).