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93035-02-0 molecular structure
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3-ethylpyrazin-2-amine

ChemBase ID: 294552
Molecular Formular: C6H9N3
Molecular Mass: 123.15576
Monoisotopic Mass: 123.0796473
SMILES and InChIs

SMILES:
Nc1nccnc1CC
Canonical SMILES:
CCc1nccnc1N
InChI:
InChI=1S/C6H9N3/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3,(H2,7,9)
InChIKey:
RFYCVSAKGBHBFO-UHFFFAOYSA-N

Cite this record

CBID:294552 http://www.chembase.cn/molecule-294552.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethylpyrazin-2-amine
IUPAC Traditional name
3-ethylpyrazin-2-amine
Synonyms
3-Ethylpyrazin-2-amine
CAS Number
93035-02-0
MDL Number
MFCD13193279
PubChem SID
180680083
PubChem CID
18704782

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD169851 Please log in.
Data Source Data ID
PubChem 18704782 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.13510743  LogD (pH = 7.4) 0.13533564 
Log P 0.13533856  Molar Refractivity 35.9765 cm3
Polarizability 13.281477 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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