1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one

C13H23N3O2 — CID 62927493

IUPAC1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCC(C)Cn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)9-16-7-5-15-12(13(16)17)18-8-6-14-11(3)4/h5,7,10-11,14H,6,8-9H2,1-4H3
InChIKeyZHEDYEHEGXGMAG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds7

About 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one

1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (PubChem CID 62927493) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
PubChem CID62927493
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCC(C)Cn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-10(2)9-16-7-5-15-12(13(16)17)18-8-6-14-11(3)4/h5,7,10-11,14H,6,8-9H2,1-4H3
InChIKeyZHEDYEHEGXGMAG-UHFFFAOYSA-N
XLogP1.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.28
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 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (CID 62927493) is 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is CC(C)Cn1ccnc(OCCNC(C)C)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The InChIKey is ZHEDYEHEGXGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)9-16-7-5-15-12(13(16)17)18-8-6-14-11(3)4/h5,7,10-11,14H,6,8-9H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 62927493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).