3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one

C15H24N4O2 — CID 79082149

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CN3CCCC3CO2)c1=O
InChIInChI=1S/C15H24N4O2/c1-2-6-18-8-5-16-14(15(18)20)17-9-13-10-19-7-3-4-12(19)11-21-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,17)
InChIKeyLIQXNJPITFESRH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.93
Rot. Bonds5

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one (PubChem CID 79082149) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
PubChem CID79082149
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CN3CCCC3CO2)c1=O
InChIInChI=1S/C15H24N4O2/c1-2-6-18-8-5-16-14(15(18)20)17-9-13-10-19-7-3-4-12(19)11-21-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,17)
InChIKeyLIQXNJPITFESRH-UHFFFAOYSA-N
XLogP0.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one (CID 79082149) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NCC2CN3CCCC3CO2)c1=O.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one?
The InChIKey is LIQXNJPITFESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-6-18-8-5-16-14(15(18)20)17-9-13-10-19-7-3-4-12(19)11-21-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,17).
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one has a molecular weight of 292.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 79082149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).