1-(4-pyrazin-2-yloxyphenyl)propan-1-one

C13H12N2O2 — CID 3730312

IUPAC1-(4-pyrazin-2-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-12(16)10-3-5-11(6-4-10)17-13-9-14-7-8-15-13/h3-9H,2H2,1H3
InChIKeyHDQKKQXUFYFBNL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-pyrazin-2-yloxyphenyl)propan-1-one

1-(4-pyrazin-2-yloxyphenyl)propan-1-one (PubChem CID 3730312) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(4-pyrazin-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyrazin-2-yloxyphenyl)propan-1-one
PubChem CID3730312
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-(4-pyrazin-2-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C13H12N2O2/c1-2-12(16)10-3-5-11(6-4-10)17-13-9-14-7-8-15-13/h3-9H,2H2,1H3
InChIKeyHDQKKQXUFYFBNL-UHFFFAOYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazin-2-yloxyphenyl)propan-1-one?
The IUPAC name of 1-(4-pyrazin-2-yloxyphenyl)propan-1-one (CID 3730312) is 1-(4-pyrazin-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-pyrazin-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-pyrazin-2-yloxyphenyl)propan-1-one is CCC(=O)c1ccc(Oc2cnccn2)cc1.
What is the InChIKey of 1-(4-pyrazin-2-yloxyphenyl)propan-1-one?
The InChIKey is HDQKKQXUFYFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-12(16)10-3-5-11(6-4-10)17-13-9-14-7-8-15-13/h3-9H,2H2,1H3.
What are the key properties of 1-(4-pyrazin-2-yloxyphenyl)propan-1-one?
1-(4-pyrazin-2-yloxyphenyl)propan-1-one has a molecular weight of 228.25 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazin-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 3730312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).