4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one

C9H12N2O3 — CID 106677606

IUPAC4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
SMILESCOc1nccnc1C(=O)CCCO
InChIInChI=1S/C9H12N2O3/c1-14-9-8(10-4-5-11-9)7(13)3-2-6-12/h4-5,12H,2-3,6H2,1H3
InChIKeyBQINXXLMPRCIEO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.44
Rot. Bonds5

About 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one

4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one (PubChem CID 106677606) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
PubChem CID106677606
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
SMILESCOc1nccnc1C(=O)CCCO
InChIInChI=1S/C9H12N2O3/c1-14-9-8(10-4-5-11-9)7(13)3-2-6-12/h4-5,12H,2-3,6H2,1H3
InChIKeyBQINXXLMPRCIEO-UHFFFAOYSA-N
XLogP0.44
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
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2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanone
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3-methoxypyrazine-2-carboxylic acid
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3-methoxypyrazine-2-carboxamide
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1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
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3-amino-1-(3-methoxypyrazin-2-yl)-4,4-dimethylpentan-1-one
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2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
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4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one (CID 106677606) is 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one is COc1nccnc1C(=O)CCCO.
What is the InChIKey of 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one?
The InChIKey is BQINXXLMPRCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-9-8(10-4-5-11-9)7(13)3-2-6-12/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one?
4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one has a molecular weight of 196.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one is sourced from PubChem (CID 106677606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).