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14229-27-7 molecular structure
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3-amino-5,6-dichloropyrazine-2-carboxamide

ChemBase ID: 289119
Molecular Formular: C5H4Cl2N4O
Molecular Mass: 207.01746
Monoisotopic Mass: 205.97621613
SMILES and InChIs

SMILES:
NC(=O)c1c(N)nc(Cl)c(Cl)n1
Canonical SMILES:
NC(=O)c1nc(Cl)c(nc1N)Cl
InChI:
InChI=1S/C5H4Cl2N4O/c6-2-3(7)11-4(8)1(10-2)5(9)12/h(H2,8,11)(H2,9,12)
InChIKey:
YAUJFGUNNMAZQR-UHFFFAOYSA-N

Cite this record

CBID:289119 http://www.chembase.cn/molecule-289119.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5,6-dichloropyrazine-2-carboxamide
IUPAC Traditional name
3-amino-5,6-dichloropyrazine-2-carboxamide
Synonyms
3-Amino-5,6-dichloropyrazine-2-carboxamide
CAS Number
14229-27-7
PubChem SID
180674650
PubChem CID
70700319

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD216441 Please log in.
Data Source Data ID
PubChem 70700319 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.3702135  H Acceptors
H Donor LogD (pH = 5.5) 0.83836687 
LogD (pH = 7.4) 0.8383673  Log P 0.83836687 
Molar Refractivity 47.1967 cm3 Polarizability 16.726707 Å3
Polar Surface Area 94.89 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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