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

C13H17N5O3 — CID 22969723

IUPAC6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one
SMILESCCc1cnc(NCc2nonc2C)c(=O)n1CC(C)=O
InChIInChI=1S/C13H17N5O3/c1-4-10-5-14-12(13(20)18(10)7-8(2)19)15-6-11-9(3)16-21-17-11/h5H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyATHYUJXGZJPNBJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.70
Rot. Bonds6

About 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one

6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one (PubChem CID 22969723) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one
PubChem CID22969723
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one
SMILESCCc1cnc(NCc2nonc2C)c(=O)n1CC(C)=O
InChIInChI=1S/C13H17N5O3/c1-4-10-5-14-12(13(20)18(10)7-8(2)19)15-6-11-9(3)16-21-17-11/h5H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyATHYUJXGZJPNBJ-UHFFFAOYSA-N
XLogP0.70
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one?
The IUPAC name of 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one (CID 22969723) is 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one.
What is the SMILES notation for 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one?
The canonical SMILES for 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one is CCc1cnc(NCc2nonc2C)c(=O)n1CC(C)=O.
What is the InChIKey of 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one?
The InChIKey is ATHYUJXGZJPNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-10-5-14-12(13(20)18(10)7-8(2)19)15-6-11-9(3)16-21-17-11/h5H,4,6-7H2,1-3H3,(H,14,15).
What are the key properties of 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one?
6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one has a molecular weight of 291.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one is sourced from PubChem (CID 22969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).