Home > Compound List > Compound details
274-79-3 molecular structure
click picture or here to close

imidazo[1,2-a]pyrazine

ChemBase ID: 67594
Molecular Formular: C6H5N3
Molecular Mass: 119.124
Monoisotopic Mass: 119.04834718
SMILES and InChIs

SMILES:
c12cnccn1ccn2
Canonical SMILES:
n1ccn2c(c1)ncc2
InChI:
InChI=1S/C6H5N3/c1-3-9-4-2-8-6(9)5-7-1/h1-5H
InChIKey:
MBVAHHOKMIRXLP-UHFFFAOYSA-N

Cite this record

CBID:67594 http://www.chembase.cn/molecule-67594.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyrazine
IUPAC Traditional name
imidazo[1,2-a]pyrazine
Synonyms
Imidazo[1,2-a]pyrazine
Imidazo[1,2-a]pyrazine
咪唑并[1,2-a]吡嗪
CAS Number
274-79-3
MDL Number
MFCD06245371
PubChem SID
162033329
PubChem CID
2771670

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.46245107  LogD (pH = 7.4) -0.4581778 
Log P -0.458123  Molar Refractivity 33.7795 cm3
Polarizability 12.399143 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90-94 °C expand Show data source
90-94°C expand Show data source
Hydrophobicity(logP)
0.297 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C6H5N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 685771 external link
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle