3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one

C13H15N3O2 — CID 62938540

IUPAC3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(CCN)cc2)c1=O
InChIInChI=1S/C13H15N3O2/c1-16-9-8-15-12(13(16)17)18-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyQZRASAXIMPVHNK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.07
Rot. Bonds4

About 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one

3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one (PubChem CID 62938540) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one
PubChem CID62938540
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(CCN)cc2)c1=O
InChIInChI=1S/C13H15N3O2/c1-16-9-8-15-12(13(16)17)18-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyQZRASAXIMPVHNK-UHFFFAOYSA-N
XLogP1.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-aminoethyl)phenoxy]-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-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one (CID 62938540) is 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one is Cn1ccnc(Oc2ccc(CCN)cc2)c1=O.
What is the InChIKey of 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one?
The InChIKey is QZRASAXIMPVHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-9-8-15-12(13(16)17)18-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one?
3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)phenoxy]-1-methylpyrazin-2-one is sourced from PubChem (CID 62938540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).