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

C17H25N5O3 — CID 22969709

IUPAC5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C17H25N5O3/c1-7-13(11(3)23)22-9-14(17(4,5)6)19-15(16(22)24)18-8-12-10(2)20-25-21-12/h9,13H,7-8H2,1-6H3,(H,18,19)
InChIKeyZAIBYJDJXFCABS-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.38
Rot. Bonds6

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

5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 22969709) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID22969709
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C17H25N5O3/c1-7-13(11(3)23)22-9-14(17(4,5)6)19-15(16(22)24)18-8-12-10(2)20-25-21-12/h9,13H,7-8H2,1-6H3,(H,18,19)
InChIKeyZAIBYJDJXFCABS-UHFFFAOYSA-N
XLogP2.38
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 22969709) is 5-tert-butyl-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-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is CCC(C(C)=O)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O.
What is the InChIKey of 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is ZAIBYJDJXFCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-7-13(11(3)23)22-9-14(17(4,5)6)19-15(16(22)24)18-8-12-10(2)20-25-21-12/h9,13H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).