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91476-88-9 molecular structure
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7-nitroso-5H,6H,7H,8H-imidazo[1,2-a]pyrazine

ChemBase ID: 64398
Molecular Formular: C6H8N4O
Molecular Mass: 152.15392
Monoisotopic Mass: 152.0698109
SMILES and InChIs

SMILES:
c12n(ccn2)CCN(C1)N=O
Canonical SMILES:
O=NN1CCn2c(C1)ncc2
InChI:
InChI=1S/C6H8N4O/c11-8-10-4-3-9-2-1-7-6(9)5-10/h1-2H,3-5H2
InChIKey:
SDQPBIDYLCHJKC-UHFFFAOYSA-N

Cite this record

CBID:64398 http://www.chembase.cn/molecule-64398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-nitroso-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
IUPAC Traditional name
7-nitroso-5H,6H,8H-imidazo[1,2-a]pyrazine
Synonyms
7-Nitroso-5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazine
CAS Number
91476-88-9
MDL Number
MFCD10699164
PubChem SID
162030137
PubChem CID
13247049

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069724 external link Add to cart Please log in.
Data Source Data ID
PubChem 13247049 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7377781  LogD (pH = 7.4) -0.24501592 
Log P -0.23006551  Molar Refractivity 39.8726 cm3
Polarizability 14.394229 Å3 Polar Surface Area 50.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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