2-phenyl-1-pyrazin-2-ylbutan-1-one

C14H14N2O — CID 114973044

IUPAC2-phenyl-1-pyrazin-2-ylbutan-1-one
SMILESCCC(C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-12(11-6-4-3-5-7-11)14(17)13-10-15-8-9-16-13/h3-10,12H,2H2,1H3
InChIKeyCGTPLWUIGAMAJM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.85
Rot. Bonds4

About 2-phenyl-1-pyrazin-2-ylbutan-1-one

2-phenyl-1-pyrazin-2-ylbutan-1-one (PubChem CID 114973044) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-phenyl-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name2-phenyl-1-pyrazin-2-ylbutan-1-one
PubChem CID114973044
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-phenyl-1-pyrazin-2-ylbutan-1-one
SMILESCCC(C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-2-12(11-6-4-3-5-7-11)14(17)13-10-15-8-9-16-13/h3-10,12H,2H2,1H3
InChIKeyCGTPLWUIGAMAJM-UHFFFAOYSA-N
XLogP2.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 103133838
2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-one
CID 115796975
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
(3R)-4-nitro-3-phenyl-1-pyrazin-2-ylbutan-1-one
CID 102582286
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 2-phenyl-1-pyrazin-2-ylbutan-1-one (CID 114973044) is 2-phenyl-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 2-phenyl-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 2-phenyl-1-pyrazin-2-ylbutan-1-one is CCC(C(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-pyrazin-2-ylbutan-1-one?
The InChIKey is CGTPLWUIGAMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-12(11-6-4-3-5-7-11)14(17)13-10-15-8-9-16-13/h3-10,12H,2H2,1H3.
What are the key properties of 2-phenyl-1-pyrazin-2-ylbutan-1-one?
2-phenyl-1-pyrazin-2-ylbutan-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 114973044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).