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

C13H24N4O2 — CID 55171898

IUPAC3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCCN)CCOC)c1=O
InChIInChI=1S/C13H24N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-5,7-8,10-11,14H2,1-2H3
InChIKeyZKIOJUHRGRCFEA-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.45
Rot. Bonds9

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

3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one (PubChem CID 55171898) 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-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one
PubChem CID55171898
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCCN)CCOC)c1=O
InChIInChI=1S/C13H24N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-5,7-8,10-11,14H2,1-2H3
InChIKeyZKIOJUHRGRCFEA-UHFFFAOYSA-N
XLogP0.45
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one (CID 55171898) is 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(N(CCCN)CCOC)c1=O.
What is the InChIKey of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one?
The InChIKey is ZKIOJUHRGRCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-5,7-8,10-11,14H2,1-2H3.
What are the key properties of 3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one?
3-[3-aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.45, 9 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-propylpyrazin-2-one is sourced from PubChem (CID 55171898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).