Pyrazinamide-D3

CAT: 1299-RM-P181404-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181404-02Size:25 mg

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CAS Number

1432059-16-9

Synonyms

Pyrazine-d3-2-carboxamide

Molecular Formula

C5H2D3N3O

Molecular Weight

126.13

Target Alternative Name

Pyrazinamide

Product Name Synonym

Pyrazine-d3-2-carboxamide

Chemical Information

Pyrazinamide-d3

CAS Number	1432059-16-9
PubChem CID	57347701
IUPAC Name	3,5,6-trideuteriopyrazine-2-carboxamide
Molecular Formula	C5H5N3O
Molecular Weight	126.13
XLogP	-0.6
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	115

SMILES

[2H]C1=C(N=C(C(=N1)[2H])C(=O)N)[2H]

InChI

InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i1D,2D,3D

InChIKey

IPEHBUMCGVEMRF-CBYSEHNBSA-N

Chemical Structure

2D Structure

CAS: 1432059-16-9

CID: 57347701

Formula: C5H5N3O

MW: 126.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.13
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	126.062092029
Monoisotopic Mass	126.062092029
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes