chempirical

3-(4-Hydroxyphenyl)-2(1H)-pyrazinone

C10H8N2O2CAS 126247-63-0188.19 g/mol

Open in Covalent MOL file
NNHOOH
Phenol

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
1.14Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
126247-63-0
SMILES
C1=CC(=CC=C1C2=NC=CNC2=O)O
InChIKey
KNKDJXWCPVPHPA-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-8-3-1-7(2-4-8)9-10(14)12-6-5-11-9/h1-6,13H,(H,12,14)

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Type any one amount. The others follow from the molar mass.

Work with 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-2(1H)-pyrazinone19838-07-443 % similar 4,4'-Biphenol92-88-638 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ol98549-88-337 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-436 % similar 2,2′-Biimidazole492-98-835 % similar 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole152121-30-733 % similar 2-Phenylimidazole670-96-233 % similar 4-Phenylphenol92-69-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 N-(4-Aminophenyl)maleimide29753-26-2 M-Xylylene diisocyanate3634-83-1 2-Methyl-6-nitroquinoline613-30-9

Elsewhere

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