3-(2-aminoethoxy)-1-methylpyrazin-2-one

C7H11N3O2 — CID 62940451

IUPAC3-(2-aminoethoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(OCCN)c1=O
InChIInChI=1S/C7H11N3O2/c1-10-4-3-9-6(7(10)11)12-5-2-8/h3-4H,2,5,8H2,1H3
InChIKeyFWIDWZBWYQIACY-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.88
Rot. Bonds3

About 3-(2-aminoethoxy)-1-methylpyrazin-2-one

3-(2-aminoethoxy)-1-methylpyrazin-2-one (PubChem CID 62940451) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1-methylpyrazin-2-one
PubChem CID62940451
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(2-aminoethoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(OCCN)c1=O
InChIInChI=1S/C7H11N3O2/c1-10-4-3-9-6(7(10)11)12-5-2-8/h3-4H,2,5,8H2,1H3
InChIKeyFWIDWZBWYQIACY-UHFFFAOYSA-N
XLogP-0.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoethoxy)-1-methylpyrazin-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-(2-aminoethoxy)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-aminoethoxy)-1-methylpyrazin-2-one (CID 62940451) is 3-(2-aminoethoxy)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-aminoethoxy)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-aminoethoxy)-1-methylpyrazin-2-one is Cn1ccnc(OCCN)c1=O.
What is the InChIKey of 3-(2-aminoethoxy)-1-methylpyrazin-2-one?
The InChIKey is FWIDWZBWYQIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-4-3-9-6(7(10)11)12-5-2-8/h3-4H,2,5,8H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-1-methylpyrazin-2-one?
3-(2-aminoethoxy)-1-methylpyrazin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1-methylpyrazin-2-one is sourced from PubChem (CID 62940451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).