1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione

C13H13FN2O2 — CID 163349855

IUPAC1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
SMILESCCCn1ccn(-c2cccc(F)c2)c(=O)c1=O
InChIInChI=1S/C13H13FN2O2/c1-2-6-15-7-8-16(13(18)12(15)17)11-5-3-4-10(14)9-11/h3-5,7-9H,2,6H2,1H3
InChIKeyHWPYPFZSTBDPHS-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.55
Rot. Bonds3

About 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione

1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione (PubChem CID 163349855) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
PubChem CID163349855
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
SMILESCCCn1ccn(-c2cccc(F)c2)c(=O)c1=O
InChIInChI=1S/C13H13FN2O2/c1-2-6-15-7-8-16(13(18)12(15)17)11-5-3-4-10(14)9-11/h3-5,7-9H,2,6H2,1H3
InChIKeyHWPYPFZSTBDPHS-UHFFFAOYSA-N
XLogP1.55
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-4-propylpyrazine-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

N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30564325
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
CID 154854181
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-butyl-4-(3-fluoro-4-methoxyphenyl)pyrazine-2,3-dione
CID 172906443
3-ethylsulfanyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163355191
1-(3-ethylphenyl)-4-prop-2-enylpyrazine-2,3-dione
CID 30566185
1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 7286911
1-but-3-enyl-4-(4-fluorophenyl)pyrazine-2,3-dione
CID 155976892
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566111
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione (CID 163349855) is 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione is CCCn1ccn(-c2cccc(F)c2)c(=O)c1=O.
What is the InChIKey of 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione?
The InChIKey is HWPYPFZSTBDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-6-15-7-8-16(13(18)12(15)17)11-5-3-4-10(14)9-11/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione?
1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione has a molecular weight of 248.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione is sourced from PubChem (CID 163349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).