1-(5-phenylpyrazin-2-yl)propan-1-one

C13H12N2O — CID 15500398

IUPAC1-(5-phenylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(-c2ccccc2)cn1
InChIInChI=1S/C13H12N2O/c1-2-13(16)12-9-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyMUVVHCCBACPPEH-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-phenylpyrazin-2-yl)propan-1-one

1-(5-phenylpyrazin-2-yl)propan-1-one (PubChem CID 15500398) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(5-phenylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-phenylpyrazin-2-yl)propan-1-one
PubChem CID15500398
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-(5-phenylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(-c2ccccc2)cn1
InChIInChI=1S/C13H12N2O/c1-2-13(16)12-9-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyMUVVHCCBACPPEH-UHFFFAOYSA-N
XLogP2.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpyrazin-2-yl)propan-1-one?
The IUPAC name of 1-(5-phenylpyrazin-2-yl)propan-1-one (CID 15500398) is 1-(5-phenylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-phenylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-(5-phenylpyrazin-2-yl)propan-1-one is CCC(=O)c1cnc(-c2ccccc2)cn1.
What is the InChIKey of 1-(5-phenylpyrazin-2-yl)propan-1-one?
The InChIKey is MUVVHCCBACPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-13(16)12-9-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 1-(5-phenylpyrazin-2-yl)propan-1-one?
1-(5-phenylpyrazin-2-yl)propan-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 15500398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).