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

C14H19N5O3 — CID 22969687

IUPAC3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one
SMILESCCCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-5-12(10(3)20)19-7-6-15-13(14(19)21)16-8-11-9(2)17-22-18-11/h6-7,12H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUPQUDWLGLLQURT-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.48
Rot. Bonds7

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

3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one (PubChem CID 22969687) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one
PubChem CID22969687
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one
SMILESCCCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-5-12(10(3)20)19-7-6-15-13(14(19)21)16-8-11-9(2)17-22-18-11/h6-7,12H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUPQUDWLGLLQURT-UHFFFAOYSA-N
XLogP1.48
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one?
The IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one (CID 22969687) is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one?
The canonical SMILES for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one is CCCC(C(C)=O)n1ccnc(NCc2nonc2C)c1=O.
What is the InChIKey of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one?
The InChIKey is UPQUDWLGLLQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-5-12(10(3)20)19-7-6-15-13(14(19)21)16-8-11-9(2)17-22-18-11/h6-7,12H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one?
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one has a molecular weight of 305.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).