1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one

C15H16N2O2 — CID 115796975

IUPAC1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1nccnc1OC)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-3-12(11-7-5-4-6-8-11)14(18)13-15(19-2)17-10-9-16-13/h4-10,12H,3H2,1-2H3
InChIKeyXTXPEOUUVLEBLO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.86
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one

1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one (PubChem CID 115796975) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one
PubChem CID115796975
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1nccnc1OC)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-3-12(11-7-5-4-6-8-11)14(18)13-15(19-2)17-10-9-16-13/h4-10,12H,3H2,1-2H3
InChIKeyXTXPEOUUVLEBLO-UHFFFAOYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
CID 104515007
2-phenyl-1-pyrazin-2-ylbutan-1-one
CID 114973044
3-methoxypyrazine-2-carboxylic acid
CID 22395692
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
amino 2-phenylbutanoate
CID 21430295

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one (CID 115796975) is 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one is CCC(C(=O)c1nccnc1OC)c1ccccc1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one?
The InChIKey is XTXPEOUUVLEBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-12(11-7-5-4-6-8-11)14(18)13-15(19-2)17-10-9-16-13/h4-10,12H,3H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one?
1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 115796975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).