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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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)

Weigh it out

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

2-Hydroxy-3-phenylpyrazine2882-18-066 % similar 3-Methyl-2(1H)-pyrazinone19838-07-443 % similar 3-Hydroxypyrazine-2-carboxylic acid20737-42-241 % similar 4,4′-Dihydroxybiphenyl92-88-638 % similar 2-(4-Hydroxypenyl)pyridine51035-40-638 % similar 3-Hydroxypyrazine-2-carboxamide55321-99-838 % similar 1H-Pyrrolo[2,3-b]pyridin-5-ol98549-88-337 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-436 % 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 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0 4-(1-Imidazolyl)benzoic Acid17616-04-5

Elsewhere

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