Home > Compound List > Compound details
345311-03-7 molecular structure
click picture or here to close

tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate

ChemBase ID: 64713
Molecular Formular: C11H17N3O2
Molecular Mass: 223.27158
Monoisotopic Mass: 223.1320768
SMILES and InChIs

SMILES:
C(=O)(N1Cc2n(ccn2)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCn2c(C1)ncc2)OC(C)(C)C
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-6-13-5-4-12-9(13)8-14/h4-5H,6-8H2,1-3H3
InChIKey:
WDHIKONIOJKMIK-UHFFFAOYSA-N

Cite this record

CBID:64713 http://www.chembase.cn/molecule-64713.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
IUPAC Traditional name
tert-butyl 5H,6H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
Synonyms
tert-Butyl 5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
CAS Number
345311-03-7
MDL Number
MFCD09878590
PubChem SID
162030452
PubChem CID
21955306

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21955306 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.29497054  LogD (pH = 7.4) 0.8054895 
Log P 0.82163525  Molar Refractivity 59.5106 cm3
Polarizability 23.072514 Å3 Polar Surface Area 47.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

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