3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one

C7H11N3O2 — CID 114571220

IUPAC3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one
SMILESCNCCOc1ncc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-4-5-12-7-6(11)9-2-3-10-7/h2-3,8H,4-5H2,1H3,(H,9,11)
InChIKeyZWYXHAKEQGNNAM-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.63
Rot. Bonds4

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

3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one (PubChem CID 114571220) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one
PubChem CID114571220
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one
SMILESCNCCOc1ncc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-4-5-12-7-6(11)9-2-3-10-7/h2-3,8H,4-5H2,1H3,(H,9,11)
InChIKeyZWYXHAKEQGNNAM-UHFFFAOYSA-N
XLogP-0.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one (CID 114571220) is 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one is CNCCOc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one?
The InChIKey is ZWYXHAKEQGNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-4-5-12-7-6(11)9-2-3-10-7/h2-3,8H,4-5H2,1H3,(H,9,11).
What are the key properties of 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one?
3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 114571220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).