1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone

C8H12N2O — CID 70209354

IUPAC1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone
SMILESCC(=O)C1=NC=CN(C)C1C
InChIInChI=1S/C8H12N2O/c1-6-8(7(2)11)9-4-5-10(6)3/h4-6H,1-3H3
InChIKeyFTHAVYGCKWWYHH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds1

About 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone

1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone (PubChem CID 70209354) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone
PubChem CID70209354
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone
SMILESCC(=O)C1=NC=CN(C)C1C
InChIInChI=1S/C8H12N2O/c1-6-8(7(2)11)9-4-5-10(6)3/h4-6H,1-3H3
InChIKeyFTHAVYGCKWWYHH-UHFFFAOYSA-N
XLogP0.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone?
The IUPAC name of 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone (CID 70209354) is 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone.
What is the SMILES notation for 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone?
The canonical SMILES for 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone is CC(=O)C1=NC=CN(C)C1C.
What is the InChIKey of 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone?
The InChIKey is FTHAVYGCKWWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-8(7(2)11)9-4-5-10(6)3/h4-6H,1-3H3.
What are the key properties of 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone?
1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-2H-pyrazin-3-yl)ethanone is sourced from PubChem (CID 70209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).