2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione

C13H16N2O2 — CID 139494682

IUPAC2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12
InChIInChI=1S/C13H16N2O2/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14/h5-8H,1-4H3
InChIKeyOIELDPUFMXAZNP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.52
Rot. Bonds

About 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione

2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 139494682) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
PubChem CID139494682
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12
InChIInChI=1S/C13H16N2O2/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14/h5-8H,1-4H3
InChIKeyOIELDPUFMXAZNP-UHFFFAOYSA-N
XLogP1.52
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70876244
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione (CID 139494682) is 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione is Cc1ccc(=O)n2ccn(C(C)(C)C)c(=O)c12.
What is the InChIKey of 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is OIELDPUFMXAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-5-6-10(16)14-7-8-15(13(2,3)4)12(17)11(9)14/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione?
2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 232.28 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 139494682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).