3-acetyl-1H-pyrazin-2-one;ethane

C8H12N2O2 — CID 170757986

IUPAC3-acetyl-1H-pyrazin-2-one;ethane
SMILESCC.CC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C6H6N2O2.C2H6/c1-4(9)5-6(10)8-3-2-7-5;1-2/h2-3H,1H3,(H,8,10);1-2H3
InChIKeyQHNWFUORCWEPLG-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.00
Rot. Bonds1

About 3-acetyl-1H-pyrazin-2-one;ethane

3-acetyl-1H-pyrazin-2-one;ethane (PubChem CID 170757986) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-acetyl-1H-pyrazin-2-one;ethane.

Molecular Properties

Compound Name3-acetyl-1H-pyrazin-2-one;ethane
PubChem CID170757986
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-acetyl-1H-pyrazin-2-one;ethane
SMILESCC.CC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C6H6N2O2.C2H6/c1-4(9)5-6(10)8-3-2-7-5;1-2/h2-3H,1H3,(H,8,10);1-2H3
InChIKeyQHNWFUORCWEPLG-UHFFFAOYSA-N
XLogP1.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
3-methyl-1H-pyrazin-2-one;molecular hydrogen
CID 142113930
1-(3-bromopyrazin-2-yl)ethanone
CID 154466842
3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one
CID 136880927
acetyl acetate;2-methyl-1H-imidazole
CID 174834848
2-methyl-1H-imidazole;oxalic acid
CID 71442090
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
CID 115698510
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1H-pyrazin-2-one;ethane?
The IUPAC name of 3-acetyl-1H-pyrazin-2-one;ethane (CID 170757986) is 3-acetyl-1H-pyrazin-2-one;ethane.
What is the SMILES notation for 3-acetyl-1H-pyrazin-2-one;ethane?
The canonical SMILES for 3-acetyl-1H-pyrazin-2-one;ethane is CC.CC(=O)c1ncc[nH]c1=O.
What is the InChIKey of 3-acetyl-1H-pyrazin-2-one;ethane?
The InChIKey is QHNWFUORCWEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C2H6/c1-4(9)5-6(10)8-3-2-7-5;1-2/h2-3H,1H3,(H,8,10);1-2H3.
What are the key properties of 3-acetyl-1H-pyrazin-2-one;ethane?
3-acetyl-1H-pyrazin-2-one;ethane has a molecular weight of 168.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1H-pyrazin-2-one;ethane is sourced from PubChem (CID 170757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).