5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one

C15H21N5O3 — CID 22969859

IUPAC5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCc1cn(C(CC)C(C)=O)c(=O)c(NCc2nonc2C)n1
InChIInChI=1S/C15H21N5O3/c1-5-11-8-20(13(6-2)10(4)21)15(22)14(17-11)16-7-12-9(3)18-23-19-12/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyDLDYTSOOHFARCR-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.65
Rot. Bonds7

About 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one

5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 22969859) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID22969859
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCc1cn(C(CC)C(C)=O)c(=O)c(NCc2nonc2C)n1
InChIInChI=1S/C15H21N5O3/c1-5-11-8-20(13(6-2)10(4)21)15(22)14(17-11)16-7-12-9(3)18-23-19-12/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyDLDYTSOOHFARCR-UHFFFAOYSA-N
XLogP1.65
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 22969859) is 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is CCc1cn(C(CC)C(C)=O)c(=O)c(NCc2nonc2C)n1.
What is the InChIKey of 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is DLDYTSOOHFARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-11-8-20(13(6-2)10(4)21)15(22)14(17-11)16-7-12-9(3)18-23-19-12/h8,13H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 319.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).