6-tert-butyl-5-ethyl-1H-pyrazin-2-one

C10H16N2O — CID 89193817

IUPAC6-tert-butyl-5-ethyl-1H-pyrazin-2-one
SMILESCCc1ncc(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(13)6-11-7/h6H,5H2,1-4H3,(H,12,13)
InChIKeyVGYGNIPAZOLOLN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds1

About 6-tert-butyl-5-ethyl-1H-pyrazin-2-one

6-tert-butyl-5-ethyl-1H-pyrazin-2-one (PubChem CID 89193817) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-tert-butyl-5-ethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-tert-butyl-5-ethyl-1H-pyrazin-2-one
PubChem CID89193817
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-tert-butyl-5-ethyl-1H-pyrazin-2-one
SMILESCCc1ncc(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(13)6-11-7/h6H,5H2,1-4H3,(H,12,13)
InChIKeyVGYGNIPAZOLOLN-UHFFFAOYSA-N
XLogP1.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-ethyl-1H-pyrazin-2-one?
The IUPAC name of 6-tert-butyl-5-ethyl-1H-pyrazin-2-one (CID 89193817) is 6-tert-butyl-5-ethyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-tert-butyl-5-ethyl-1H-pyrazin-2-one?
The canonical SMILES for 6-tert-butyl-5-ethyl-1H-pyrazin-2-one is CCc1ncc(=O)[nH]c1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-ethyl-1H-pyrazin-2-one?
The InChIKey is VGYGNIPAZOLOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(13)6-11-7/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 6-tert-butyl-5-ethyl-1H-pyrazin-2-one?
6-tert-butyl-5-ethyl-1H-pyrazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-ethyl-1H-pyrazin-2-one is sourced from PubChem (CID 89193817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).