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

C13H16ClN5O3 — CID 58766266

IUPAC5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1cc(Cl)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C13H16ClN5O3/c1-4-10(8(3)20)19-6-11(14)16-12(13(19)21)15-5-9-7(2)17-22-18-9/h6,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyKMIAJDXNWRAZHG-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.74
Rot. Bonds6

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

5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 58766266) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID58766266
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Name5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1cc(Cl)nc(NCc2nonc2C)c1=O
InChIInChI=1S/C13H16ClN5O3/c1-4-10(8(3)20)19-6-11(14)16-12(13(19)21)15-5-9-7(2)17-22-18-9/h6,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyKMIAJDXNWRAZHG-UHFFFAOYSA-N
XLogP1.74
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 58766266) is 5-chloro-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-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is CCC(C(C)=O)n1cc(Cl)nc(NCc2nonc2C)c1=O.
What is the InChIKey of 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is KMIAJDXNWRAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c1-4-10(8(3)20)19-6-11(14)16-12(13(19)21)15-5-9-7(2)17-22-18-9/h6,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one?
5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 325.76 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 58766266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).