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1246817-81-1 molecular structure
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(2H3)pyrazine-2-(15N)carboxamide

ChemBase ID: 177115
Molecular Formular: C5H5N3O
Molecular Mass: 124.1061089
Monoisotopic Mass: 124.04029669
SMILES and InChIs

SMILES:
c1cncc(n1)C(=O)[15NH2]
Canonical SMILES:
[15NH2]C(=O)c1cnccn1
InChI:
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i6+1
InChIKey:
IPEHBUMCGVEMRF-PTQBSOBMSA-N

Cite this record

CBID:177115 http://www.chembase.cn/molecule-177115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H3)pyrazine-2-(15N)carboxamide
IUPAC Traditional name
(2H3)pyrazine-2-(15N)carboxamide
Synonyms
Pirazinecarboxamide-15N,d3
Pyrazinoic Acid Amide-15N,d3
D-50-15N,d3
Pezetamid-15N,d3
Pyrafat-15N,d3
Piraldina-15N,d3
Tebrazid-15N,d3
Zinamide-15N,d3
Pyrazinamide-15N,d3
CAS Number
1246817-81-1
PubChem SID
164233025
PubChem CID
46782812

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P840602 external link Add to cart
PubChem 46782812 external link
Data Source Data ID Price
TRC
P840602 external link Add to cart Please log in.
Data Source Data ID
PubChem 46782812 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.059009  H Acceptors
H Donor LogD (pH = 5.5) -1.2256087 
LogD (pH = 7.4) -1.2256075  Log P -1.2256085 
Molar Refractivity 30.4506 cm3 Polarizability 11.45995 Å3
Polar Surface Area 68.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
184-186°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P840602 external link
Antibacterial (tuberculostatic).

REFERENCES

REFERENCES

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  • • Weiner, I.M., et al.: J. Pharmacol. Exp. Ther., 180, 411 (1972)
  • • Feldner, E., et al.: Anal. Profiles Drug Subs., 12, 433 (1983)
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PATENTS

PATENTS

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INTERNET

INTERNET

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