1-(3-amino-6-phenylpyrazin-2-yl)ethanone

C12H11N3O — CID 58840776

IUPAC1-(3-amino-6-phenylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H11N3O/c1-8(16)11-12(13)14-7-10(15-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14)
InChIKeyOLUBAXRSGDESRX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.93
Rot. Bonds2

About 1-(3-amino-6-phenylpyrazin-2-yl)ethanone

1-(3-amino-6-phenylpyrazin-2-yl)ethanone (PubChem CID 58840776) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(3-amino-6-phenylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-phenylpyrazin-2-yl)ethanone
PubChem CID58840776
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-(3-amino-6-phenylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)cnc1N
InChIInChI=1S/C12H11N3O/c1-8(16)11-12(13)14-7-10(15-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14)
InChIKeyOLUBAXRSGDESRX-UHFFFAOYSA-N
XLogP1.93
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)ethanone (CID 58840776) is 1-(3-amino-6-phenylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-6-phenylpyrazin-2-yl)ethanone is CC(=O)c1nc(-c2ccccc2)cnc1N.
What is the InChIKey of 1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The InChIKey is OLUBAXRSGDESRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8(16)11-12(13)14-7-10(15-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14).
What are the key properties of 1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
1-(3-amino-6-phenylpyrazin-2-yl)ethanone has a molecular weight of 213.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-phenylpyrazin-2-yl)ethanone is sourced from PubChem (CID 58840776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).