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

C13H17N5O4 — CID 22969720

IUPAC1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
SMILESCOCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C13H17N5O4/c1-8-10(17-22-16-8)6-15-12-13(20)18(5-4-14-12)11(7-21-3)9(2)19/h4-5,11H,6-7H2,1-3H3,(H,14,15)
InChIKeyOCFMJSHSUNYFGN-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.32
Rot. Bonds7

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

1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one (PubChem CID 22969720) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
PubChem CID22969720
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
SMILESCOCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C13H17N5O4/c1-8-10(17-22-16-8)6-15-12-13(20)18(5-4-14-12)11(7-21-3)9(2)19/h4-5,11H,6-7H2,1-3H3,(H,14,15)
InChIKeyOCFMJSHSUNYFGN-UHFFFAOYSA-N
XLogP0.32
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one (CID 22969720) is 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one is COCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O.
What is the InChIKey of 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
The InChIKey is OCFMJSHSUNYFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-8-10(17-22-16-8)6-15-12-13(20)18(5-4-14-12)11(7-21-3)9(2)19/h4-5,11H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one?
1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one has a molecular weight of 307.31 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 22969720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).