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

C13H24N4O2 — CID 63287336

IUPAC3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCN(CCCN)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H24N4O2/c1-11(2)17-8-6-15-12(13(17)18)16(7-4-5-14)9-10-19-3/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeyILUPOWCAODXAEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.63
Rot. Bonds8

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

3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 63287336) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID63287336
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCN(CCCN)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H24N4O2/c1-11(2)17-8-6-15-12(13(17)18)16(7-4-5-14)9-10-19-3/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeyILUPOWCAODXAEU-UHFFFAOYSA-N
XLogP0.63
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 63287336) is 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one is COCCN(CCCN)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ILUPOWCAODXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(2)17-8-6-15-12(13(17)18)16(7-4-5-14)9-10-19-3/h6,8,11H,4-5,7,9-10,14H2,1-3H3.
What are the key properties of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 63287336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).