2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C10H13N3O — CID 79295856

IUPAC2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC1C(=O)Nc2cnccc2N1C
InChIInChI=1S/C10H13N3O/c1-3-8-10(14)12-7-6-11-5-4-9(7)13(8)2/h4-6,8H,3H2,1-2H3,(H,12,14)
InChIKeyWRXJKXGLEZAFMB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds1

About 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 79295856) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID79295856
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCCC1C(=O)Nc2cnccc2N1C
InChIInChI=1S/C10H13N3O/c1-3-8-10(14)12-7-6-11-5-4-9(7)13(8)2/h4-6,8H,3H2,1-2H3,(H,12,14)
InChIKeyWRXJKXGLEZAFMB-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 79295856) is 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CCC1C(=O)Nc2cnccc2N1C.
What is the InChIKey of 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is WRXJKXGLEZAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-8-10(14)12-7-6-11-5-4-9(7)13(8)2/h4-6,8H,3H2,1-2H3,(H,12,14).
What are the key properties of 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 191.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 79295856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).