1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one

C12H19N3O2 — CID 53015108

IUPAC1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-10(2)9-15-4-3-13-11(12(15)16)14-5-7-17-8-6-14/h3-4,10H,5-9H2,1-2H3
InChIKeyFHTONESJJXWALF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds3

About 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one

1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one (PubChem CID 53015108) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one
PubChem CID53015108
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-10(2)9-15-4-3-13-11(12(15)16)14-5-7-17-8-6-14/h3-4,10H,5-9H2,1-2H3
InChIKeyFHTONESJJXWALF-UHFFFAOYSA-N
XLogP0.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one (CID 53015108) is 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one is CC(C)Cn1ccnc(N2CCOCC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one?
The InChIKey is FHTONESJJXWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(2)9-15-4-3-13-11(12(15)16)14-5-7-17-8-6-14/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one?
1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-morpholin-4-ylpyrazin-2-one is sourced from PubChem (CID 53015108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).