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Pyrazinamide

CAT: 1489-P6690-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-P6690-03Size:100 g
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CAS Number
98-96-4
Purity
0.98

Chemical Information

Pyrazinamide

Pyrazinecarboxamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis. It has a role as an antitubercular agent and a prodrug. It is a monocarboxylic acid amide, a member of pyrazines and a N-acylammonia.

CAS Number98-96-4
PubChem CID1046
IUPAC Namepyrazine-2-carboxamide
Molecular FormulaC5H5N3O
Molecular Weight123.11
XLogP-0.6
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity115
SMILES
C1=CN=C(C=N1)C(=O)N
InChI
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey
IPEHBUMCGVEMRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazinamide
CAS: 98-96-4
CID: 1046
Formula: C5H5N3O
MW: 123.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.043261792
Monoisotopic Mass123.043261792
Topological Polar Surface Area68.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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