1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one

C11H11FN4O — CID 112708450

IUPAC1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
SMILESCc1ccc(-n2ccnc(NN)c2=O)cc1F
InChIInChI=1S/C11H11FN4O/c1-7-2-3-8(6-9(7)12)16-5-4-14-10(15-13)11(16)17/h2-6H,13H2,1H3,(H,14,15)
InChIKeyXBCYASODMWOOAW-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.97
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one

1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one (PubChem CID 112708450) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
PubChem CID112708450
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
SMILESCc1ccc(-n2ccnc(NN)c2=O)cc1F
InChIInChI=1S/C11H11FN4O/c1-7-2-3-8(6-9(7)12)16-5-4-14-10(15-13)11(16)17/h2-6H,13H2,1H3,(H,14,15)
InChIKeyXBCYASODMWOOAW-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
CID 143223396
N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579474
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
CID 21061674
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
1-(4-fluoro-3-methylphenyl)imidazol-2-amine
CID 106570575
3-[(2-chlorophenyl)methylamino]-1-(3,4-dimethylphenyl)pyrazin-2-one
CID 20941598

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one (CID 112708450) is 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one is Cc1ccc(-n2ccnc(NN)c2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one?
The InChIKey is XBCYASODMWOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7-2-3-8(6-9(7)12)16-5-4-14-10(15-13)11(16)17/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one?
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one has a molecular weight of 234.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one is sourced from PubChem (CID 112708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).