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6761-50-8 molecular structure
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3-amino-5-methylpyrazine-2-carboxylic acid

ChemBase ID: 291648
Molecular Formular: C6H7N3O2
Molecular Mass: 153.13868
Monoisotopic Mass: 153.05382648
SMILES and InChIs

SMILES:
O=C(c1ncc(C)nc1N)O
Canonical SMILES:
Cc1cnc(c(n1)N)C(=O)O
InChI:
InChI=1S/C6H7N3O2/c1-3-2-8-4(6(10)11)5(7)9-3/h2H,1H3,(H2,7,9)(H,10,11)
InChIKey:
VUWIQUHYWDRRGC-UHFFFAOYSA-N

Cite this record

CBID:291648 http://www.chembase.cn/molecule-291648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-methylpyrazine-2-carboxylic acid
IUPAC Traditional name
3-amino-5-methylpyrazine-2-carboxylic acid
Synonyms
3-Amino-5-methylpyrazine-2-carboxylic acid
CAS Number
6761-50-8
MDL Number
MFCD15144386
PubChem SID
180677179
PubChem CID
279233

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231678 Please log in.
Data Source Data ID
PubChem 279233 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1498137  H Acceptors
H Donor LogD (pH = 5.5) -1.292125 
LogD (pH = 7.4) -2.9736397  Log P 0.12823594 
Molar Refractivity 38.2338 cm3 Polarizability 13.889127 Å3
Polar Surface Area 89.1 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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