3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one

C12H22N4O2 — CID 106308205

IUPAC3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCCOCCN)c1=O
InChIInChI=1S/C12H22N4O2/c1-10(2)16-7-6-15-11(12(16)17)14-5-3-8-18-9-4-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,14,15)
InChIKeyCXCYKPAYQCVMAM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.60
Rot. Bonds8

About 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one

3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 106308205) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID106308205
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCCOCCN)c1=O
InChIInChI=1S/C12H22N4O2/c1-10(2)16-7-6-15-11(12(16)17)14-5-3-8-18-9-4-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,14,15)
InChIKeyCXCYKPAYQCVMAM-UHFFFAOYSA-N
XLogP0.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-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

Related Compounds

3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-[2-(2,2-difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]methanesulfonamide
CID 106337202
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one (CID 106308205) is 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCCCOCCN)c1=O.
What is the InChIKey of 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is CXCYKPAYQCVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)16-7-6-15-11(12(16)17)14-5-3-8-18-9-4-13/h6-7,10H,3-5,8-9,13H2,1-2H3,(H,14,15).
What are the key properties of 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one?
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 106308205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).