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

C11H20N4O2 — CID 55171897

IUPAC3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one
SMILESCOCCN(CCCN)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3-4,6,8-9,12H2,1-2H3
InChIKeyUWIWQWMHRNTHMU-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.42
Rot. Bonds7

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

3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one (PubChem CID 55171897) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one
PubChem CID55171897
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one
SMILESCOCCN(CCCN)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3-4,6,8-9,12H2,1-2H3
InChIKeyUWIWQWMHRNTHMU-UHFFFAOYSA-N
XLogP-0.42
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.42
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-methylpyrazin-2-one?
The IUPAC name of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one (CID 55171897) is 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one is COCCN(CCCN)c1nccn(C)c1=O.
What is the InChIKey of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one?
The InChIKey is UWIWQWMHRNTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one?
3-[3-aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one has a molecular weight of 240.31 g/mol, XLogP of -0.42, 7 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-methylpyrazin-2-one is sourced from PubChem (CID 55171897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).