5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one

C11H8BrFN4O2 — CID 88945908

IUPAC5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(F)c(N=O)c2)c1=O
InChIInChI=1S/C11H8BrFN4O2/c1-17-5-9(12)15-10(11(17)18)14-6-2-3-7(13)8(4-6)16-19/h2-5H,1H3,(H,14,15)
InChIKeyCXOZCQIBNDFTQT-UHFFFAOYSA-N
MW327.11 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one

5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one (PubChem CID 88945908) has the molecular formula C11H8BrFN4O2 and a molecular weight of 327.11 g/mol. Its IUPAC name is 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one
PubChem CID88945908
Molecular FormulaC11H8BrFN4O2
Molecular Weight327.11 g/mol
Exact Mass325.98
IUPAC Name5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(F)c(N=O)c2)c1=O
InChIInChI=1S/C11H8BrFN4O2/c1-17-5-9(12)15-10(11(17)18)14-6-2-3-7(13)8(4-6)16-19/h2-5H,1H3,(H,14,15)
InChIKeyCXOZCQIBNDFTQT-UHFFFAOYSA-N
XLogP2.82
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-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

5-bromo-1-methyl-3-(4-methyl-3-nitroanilino)pyrazin-2-one
CID 172525035
5-bromo-1-methyl-3-(3-nitroanilino)pyrazin-2-one
CID 155646201
tert-butyl 5-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]isoindole-2-carboxylate
CID 67016262
N-[3-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]phenyl]prop-2-enamide
CID 101043726
tert-butyl 5-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-1,3-dihydroisoindole-2-carboxylate
CID 58044192
5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 66610082
5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
CID 58043745
4-[4-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]benzoyl]-3-tert-butylpiperazine-1-carboxylic acid
CID 174158927
6-bromo-N-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946448
N-[5-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-2-[4-(oxolan-3-yl)-2-(trifluoromethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 175469552
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554
5-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-fluorobenzamide
CID 68605277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one?
The IUPAC name of 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one (CID 88945908) is 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one.
What is the SMILES notation for 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one?
The canonical SMILES for 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one is Cn1cc(Br)nc(Nc2ccc(F)c(N=O)c2)c1=O.
What is the InChIKey of 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one?
The InChIKey is CXOZCQIBNDFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O2/c1-17-5-9(12)15-10(11(17)18)14-6-2-3-7(13)8(4-6)16-19/h2-5H,1H3,(H,14,15).
What are the key properties of 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one?
5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one has a molecular weight of 327.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluoro-3-nitrosoanilino)-1-methylpyrazin-2-one is sourced from PubChem (CID 88945908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).