2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone

C14H14N2O — CID 105079337

IUPAC2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cccc(CC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H14N2O/c1-10-4-3-5-12(6-10)7-14(17)13-9-15-11(2)8-16-13/h3-6,8-9H,7H2,1-2H3
InChIKeyWKLIBDSSTSRYBX-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone

2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105079337) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105079337
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cccc(CC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C14H14N2O/c1-10-4-3-5-12(6-10)7-14(17)13-9-15-11(2)8-16-13/h3-6,8-9H,7H2,1-2H3
InChIKeyWKLIBDSSTSRYBX-UHFFFAOYSA-N
XLogP2.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662
2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105091145
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
1-(3,5-dibromo-2-pyridinyl)-2-(3-methylphenyl)ethanone
CID 113398297
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105079337) is 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cccc(CC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is WKLIBDSSTSRYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-4-3-5-12(6-10)7-14(17)13-9-15-11(2)8-16-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105079337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).