6-ethyl-5-phenyl-1H-pyrazin-2-one

C12H12N2O — CID 165448150

IUPAC6-ethyl-5-phenyl-1H-pyrazin-2-one
SMILESCCc1[nH]c(=O)cnc1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-10-12(13-8-11(15)14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyBGAQVAVZOGWOIC-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds2

About 6-ethyl-5-phenyl-1H-pyrazin-2-one

6-ethyl-5-phenyl-1H-pyrazin-2-one (PubChem CID 165448150) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-ethyl-5-phenyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-5-phenyl-1H-pyrazin-2-one
PubChem CID165448150
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-ethyl-5-phenyl-1H-pyrazin-2-one
SMILESCCc1[nH]c(=O)cnc1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-10-12(13-8-11(15)14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyBGAQVAVZOGWOIC-UHFFFAOYSA-N
XLogP2.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-phenyl-1H-pyrazin-2-one?
The IUPAC name of 6-ethyl-5-phenyl-1H-pyrazin-2-one (CID 165448150) is 6-ethyl-5-phenyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-ethyl-5-phenyl-1H-pyrazin-2-one?
The canonical SMILES for 6-ethyl-5-phenyl-1H-pyrazin-2-one is CCc1[nH]c(=O)cnc1-c1ccccc1.
What is the InChIKey of 6-ethyl-5-phenyl-1H-pyrazin-2-one?
The InChIKey is BGAQVAVZOGWOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-10-12(13-8-11(15)14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 6-ethyl-5-phenyl-1H-pyrazin-2-one?
6-ethyl-5-phenyl-1H-pyrazin-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-phenyl-1H-pyrazin-2-one is sourced from PubChem (CID 165448150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).