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55321-99-8 molecular structure
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3-hydroxypyrazine-2-carboxamide

ChemBase ID: 296565
Molecular Formular: C5H5N3O2
Molecular Mass: 139.1121
Monoisotopic Mass: 139.03817642
SMILES and InChIs

SMILES:
c1cnc(c(n1)C(=O)N)O
Canonical SMILES:
NC(=O)c1nccnc1O
InChI:
InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)
InChIKey:
SZPBAPFUXAADQV-UHFFFAOYSA-N

Cite this record

CBID:296565 http://www.chembase.cn/molecule-296565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxypyrazine-2-carboxamide
IUPAC Traditional name
3-hydroxypyrazine-2-carboxamide
Synonyms
3-Hydroxypyrazine-2-carboxamide
3-hydroxypyrazine-2-carboxamide
3-羟基吡嗪-2-酰胺
CAS Number
55321-99-8
MDL Number
MFCD00233977
PubChem SID
180682096
PubChem CID
294642

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 294642 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.28476182  LogD (pH = 7.4) -0.28832293 
Log P -0.28471622  Molar Refractivity 32.745 cm3
Polarizability 12.125604 Å3 Polar Surface Area 89.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 9.470801 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 270°C dec. expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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