3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C13H23N3O2 — CID 55156807

IUPAC3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-18-9-11(4)15-12-13(17)16(7-6-14-12)8-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)
InChIKeyJWNBQTOROXQKMR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds7

About 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55156807) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55156807
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-18-9-11(4)15-12-13(17)16(7-6-14-12)8-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)
InChIKeyJWNBQTOROXQKMR-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 55156807) is 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CCOCC(C)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is JWNBQTOROXQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-18-9-11(4)15-12-13(17)16(7-6-14-12)8-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15).
What are the key properties of 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55156807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).