1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one

C11H16N2O2 — CID 104514881

IUPAC1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
SMILESCOc1nccnc1C(=O)CCC(C)C
InChIInChI=1S/C11H16N2O2/c1-8(2)4-5-9(14)10-11(15-3)13-7-6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyBZYWUVLBIYDXDK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one

1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one (PubChem CID 104514881) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
PubChem CID104514881
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
SMILESCOc1nccnc1C(=O)CCC(C)C
InChIInChI=1S/C11H16N2O2/c1-8(2)4-5-9(14)10-11(15-3)13-7-6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyBZYWUVLBIYDXDK-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
CID 116588838
3-methoxypyrazine-2-carboxylic acid
CID 22395692
3-amino-1-(3-methoxypyrazin-2-yl)-4,4-dimethylpentan-1-one
CID 116608424
3-methoxypyrazine-2-carboxamide
CID 12571039
2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
CID 104515007
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952
2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
CID 113421495

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one (CID 104514881) is 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one is COc1nccnc1C(=O)CCC(C)C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one?
The InChIKey is BZYWUVLBIYDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)4-5-9(14)10-11(15-3)13-7-6-12-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one?
1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.10, 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)-4-methylpentan-1-one is sourced from PubChem (CID 104514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).