1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone

C8H11N3O2 — CID 116553732

IUPAC1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1nccnc1OC
InChIInChI=1S/C8H11N3O2/c1-9-5-6(12)7-8(13-2)11-4-3-10-7/h3-4,9H,5H2,1-2H3
InChIKeyMZLGYSARIQKGSI-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.11
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone

1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone (PubChem CID 116553732) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
PubChem CID116553732
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1nccnc1OC
InChIInChI=1S/C8H11N3O2/c1-9-5-6(12)7-8(13-2)11-4-3-10-7/h3-4,9H,5H2,1-2H3
InChIKeyMZLGYSARIQKGSI-UHFFFAOYSA-N
XLogP-0.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone (CID 116553732) is 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone is CNCC(=O)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone?
The InChIKey is MZLGYSARIQKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-9-5-6(12)7-8(13-2)11-4-3-10-7/h3-4,9H,5H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone?
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone has a molecular weight of 181.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 116553732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).