3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one

C10H17N3O2 — CID 62927661

IUPAC3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OCCNC)c1=O
InChIInChI=1S/C10H17N3O2/c1-3-6-13-7-4-12-9(10(13)14)15-8-5-11-2/h4,7,11H,3,5-6,8H2,1-2H3
InChIKeyLNXHJIFFLJGSPS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.25
Rot. Bonds6

About 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one

3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one (PubChem CID 62927661) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one
PubChem CID62927661
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OCCNC)c1=O
InChIInChI=1S/C10H17N3O2/c1-3-6-13-7-4-12-9(10(13)14)15-8-5-11-2/h4,7,11H,3,5-6,8H2,1-2H3
InChIKeyLNXHJIFFLJGSPS-UHFFFAOYSA-N
XLogP0.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one (CID 62927661) is 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one is CCCn1ccnc(OCCNC)c1=O.
What is the InChIKey of 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one?
The InChIKey is LNXHJIFFLJGSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-6-13-7-4-12-9(10(13)14)15-8-5-11-2/h4,7,11H,3,5-6,8H2,1-2H3.
What are the key properties of 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one?
3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).