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6294-72-0 molecular structure
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methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate

ChemBase ID: 804025
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
c1(c(nc(c(n1)C)C)C(=O)OC)N
Canonical SMILES:
COC(=O)c1nc(C)c(nc1N)C
InChI:
InChI=1S/C8H11N3O2/c1-4-5(2)11-7(9)6(10-4)8(12)13-3/h1-3H3,(H2,9,11)
InChIKey:
UJVSGFCWQWRGPO-UHFFFAOYSA-N

Cite this record

CBID:804025 http://www.chembase.cn/molecule-804025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate
IUPAC Traditional name
methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate
Synonyms
METHYL 3-AMINO-5,6-DIMETHYLPYRAZINE-2-CARBOXYLATE
CAS Number
6294-72-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20809 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20809 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.587973  H Acceptors
H Donor LogD (pH = 5.5) 0.40546384 
LogD (pH = 7.4) 0.4054997  Log P 0.40550017 
Molar Refractivity 47.5944 cm3 Polarizability 17.696095 Å3
Polar Surface Area 78.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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