2,2-dimethyl-1-pyrazin-2-ylpropan-1-one

C9H12N2O — CID 546031

IUPAC2,2-dimethyl-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnccn1
InChIInChI=1S/C9H12N2O/c1-9(2,3)8(12)7-6-10-4-5-11-7/h4-6H,1-3H3
InChIKeyFEHSMJDEXXANOA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.71
Rot. Bonds1

About 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one

2,2-dimethyl-1-pyrazin-2-ylpropan-1-one (PubChem CID 546031) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrazin-2-ylpropan-1-one
PubChem CID546031
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,2-dimethyl-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnccn1
InChIInChI=1S/C9H12N2O/c1-9(2,3)8(12)7-6-10-4-5-11-7/h4-6H,1-3H3
InChIKeyFEHSMJDEXXANOA-UHFFFAOYSA-N
XLogP1.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetylpyrazine
CID 30914
2-Acetyl-5-methylpyrazine
CID 30915
1-(6-Methylpyrazin-2-yl)ethan-1-one
CID 527821
2-Acetyl-5-ethylpyrazine
CID 21186827
1-(5,6-Dimethyl-2-pyrazinyl)ethanone
CID 53423848
3-[2-Hydroxyethyl(methyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231508
3-[Tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231509
N,N-bis(2-hydroxyethyl)aminoethyl-2-pyrazylketone
CID 46231510
3-[Butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231511
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231512
1-(6-Ethylpyrazin-2-yl)ethanone
CID 53423849
1-(Pyrazin-2-yl)butan-1-one
CID 316819

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one (CID 546031) is 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one is CC(C)(C)C(=O)c1cnccn1.
What is the InChIKey of 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one?
The InChIKey is FEHSMJDEXXANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(2,3)8(12)7-6-10-4-5-11-7/h4-6H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one?
2,2-dimethyl-1-pyrazin-2-ylpropan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 546031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).