4-cyclobutyl-1H-pyrazine-2,3-dione

C8H10N2O2 — CID 166103316

IUPAC4-cyclobutyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CCC2)c1=O
InChIInChI=1S/C8H10N2O2/c11-7-8(12)10(5-4-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,11)
InChIKeyQJJVTYVSRGZQBD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.26
Rot. Bonds1

About 4-cyclobutyl-1H-pyrazine-2,3-dione

4-cyclobutyl-1H-pyrazine-2,3-dione (PubChem CID 166103316) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-cyclobutyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-cyclobutyl-1H-pyrazine-2,3-dione
PubChem CID166103316
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-cyclobutyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CCC2)c1=O
InChIInChI=1S/C8H10N2O2/c11-7-8(12)10(5-4-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,11)
InChIKeyQJJVTYVSRGZQBD-UHFFFAOYSA-N
XLogP0.26
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-cyclobutyl-1H-pyrazine-2,3-dione 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

3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
CID 103125740
1-cyclopentyl-4-methylpyrazine-2,3-dione
CID 134160439
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942272
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one
CID 106186464
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759
4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
CID 83872512
3-(azidomethyl)-1-cyclobutylpyridin-2-one
CID 178075172
3-(1,2-dimethylpiperidin-4-yl)-1H-imidazol-2-one
CID 103125850

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-cyclobutyl-1H-pyrazine-2,3-dione (CID 166103316) is 4-cyclobutyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-cyclobutyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-cyclobutyl-1H-pyrazine-2,3-dione is O=c1[nH]ccn(C2CCC2)c1=O.
What is the InChIKey of 4-cyclobutyl-1H-pyrazine-2,3-dione?
The InChIKey is QJJVTYVSRGZQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7-8(12)10(5-4-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,11).
What are the key properties of 4-cyclobutyl-1H-pyrazine-2,3-dione?
4-cyclobutyl-1H-pyrazine-2,3-dione has a molecular weight of 166.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 166103316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).