ethane;6-methyl-1H-pyrazin-2-one

C7H12N2O — CID 143690096

IUPACethane;6-methyl-1H-pyrazin-2-one
SMILESCC.Cc1cncc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6/c1-4-2-6-3-5(8)7-4;1-2/h2-3H,1H3,(H,7,8);1-2H3
InChIKeyIKDQMRGSOHYPJJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.10
Rot. Bonds

About ethane;6-methyl-1H-pyrazin-2-one

ethane;6-methyl-1H-pyrazin-2-one (PubChem CID 143690096) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is ethane;6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-1H-pyrazin-2-one
PubChem CID143690096
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Nameethane;6-methyl-1H-pyrazin-2-one
SMILESCC.Cc1cncc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6/c1-4-2-6-3-5(8)7-4;1-2/h2-3H,1H3,(H,7,8);1-2H3
InChIKeyIKDQMRGSOHYPJJ-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;6-methyl-1H-pyrazin-2-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

6-Methylpyrazin-2-ol
CID 285725
3,6-Dimethylpyrazin-2-ol
CID 12565999
2-Hydroxy-5-methylpyrazine
CID 88668
5,6-Dimethylpyrazin-2-ol
CID 12447005
1,6-dimethyl-2(1H)-pyrazinone
CID 6428850
6-Bromomethylpyrazin-2(1h)-one
CID 89714218
5-Ethylpyrazin-2-OL
CID 19775264
Methylene-3,4,5,6-tetrahydro-3-pyrazinone
CID 129779137
6-(Difluoromethyl)pyrazin-2(1H)-one
CID 129919662
6-Methylpyrazin-2(1h)-one 4-oxide
CID 287056
2(1H)-Pyrazinone, 6-ethyl-
CID 19737130
6-Propylpyrazin-2(1H)-one
CID 21788391

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1H-pyrazin-2-one?
The IUPAC name of ethane;6-methyl-1H-pyrazin-2-one (CID 143690096) is ethane;6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for ethane;6-methyl-1H-pyrazin-2-one?
The canonical SMILES for ethane;6-methyl-1H-pyrazin-2-one is CC.Cc1cncc(=O)[nH]1.
What is the InChIKey of ethane;6-methyl-1H-pyrazin-2-one?
The InChIKey is IKDQMRGSOHYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6/c1-4-2-6-3-5(8)7-4;1-2/h2-3H,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;6-methyl-1H-pyrazin-2-one?
ethane;6-methyl-1H-pyrazin-2-one has a molecular weight of 140.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 143690096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).