3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one

C12H22N4O2 — CID 113468467

IUPAC3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCN(CCN)c1nccn(C(C)C)c1=O
InChIInChI=1S/C12H22N4O2/c1-10(2)16-7-5-14-11(12(16)17)15(6-4-13)8-9-18-3/h5,7,10H,4,6,8-9,13H2,1-3H3
InChIKeyYDKMFXOGOWHXCT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.24
Rot. Bonds7

About 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one

3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 113468467) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID113468467
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCN(CCN)c1nccn(C(C)C)c1=O
InChIInChI=1S/C12H22N4O2/c1-10(2)16-7-5-14-11(12(16)17)15(6-4-13)8-9-18-3/h5,7,10H,4,6,8-9,13H2,1-3H3
InChIKeyYDKMFXOGOWHXCT-UHFFFAOYSA-N
XLogP0.24
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 113468467) is 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one is COCCN(CCN)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is YDKMFXOGOWHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)16-7-5-14-11(12(16)17)15(6-4-13)8-9-18-3/h5,7,10H,4,6,8-9,13H2,1-3H3.
What are the key properties of 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 113468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).