4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one

C11H16N2O2 — CID 104516378

IUPAC4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one
SMILESCOc1nccnc1C(C)(C)CC(C)=O
InChIInChI=1S/C11H16N2O2/c1-8(14)7-11(2,3)9-10(15-4)13-6-5-12-9/h5-6H,7H2,1-4H3
InChIKeyFYHPUZLUFKICGN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.74
Rot. Bonds4

About 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one

4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one (PubChem CID 104516378) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one
PubChem CID104516378
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one
SMILESCOc1nccnc1C(C)(C)CC(C)=O
InChIInChI=1S/C11H16N2O2/c1-8(14)7-11(2,3)9-10(15-4)13-6-5-12-9/h5-6H,7H2,1-4H3
InChIKeyFYHPUZLUFKICGN-UHFFFAOYSA-N
XLogP1.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104516755
3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 104516794
2-(3-methoxypyrazin-2-yl)-N-methylpropan-2-amine
CID 175976338
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(3-methoxypyrazin-2-yl)-1-phenylethanol
CID 113421421
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
CID 116588838
3-methoxypyrazine-2-carboxylic acid
CID 22395692
1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450
3-methoxypyrazine-2-carboxamide
CID 12571039
3-amino-1-(3-methoxypyrazin-2-yl)-4,4-dimethylpentan-1-one
CID 116608424
1-(2-bromophenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421425
1-(4-ethylphenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104514796

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one?
The IUPAC name of 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one (CID 104516378) is 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one is COc1nccnc1C(C)(C)CC(C)=O.
What is the InChIKey of 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one?
The InChIKey is FYHPUZLUFKICGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)7-11(2,3)9-10(15-4)13-6-5-12-9/h5-6H,7H2,1-4H3.
What are the key properties of 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one?
4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrazin-2-yl)-4-methylpentan-2-one is sourced from PubChem (CID 104516378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).