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5-Acetylpyrazine-2-carboxamide

CAT: 0127-OR1064163-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1064163-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147425-79-4
MDL Number
MFCD11100140
Purity
95%
Smiles
O=C(C1=NC=C(C(C)=O)N=C1)N

Chemical Information

5-Acetylpyrazine-2-carboxamide
CAS Number147425-79-4
PubChem CID10241133
IUPAC Name5-acetylpyrazine-2-carboxamide
Molecular FormulaC7H7N3O2
Molecular Weight165.15
XLogP-1
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity205
SMILES
CC(=O)C1=CN=C(C=N1)C(=O)N
InChI
InChI=1S/C7H7N3O2/c1-4(11)5-2-10-6(3-9-5)7(8)12/h2-3H,1H3,(H2,8,12)
InChIKey
ALPVAENMJMTCLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Acetylpyrazine-2-carboxamide
CAS: 147425-79-4
CID: 10241133
Formula: C7H7N3O2
MW: 165.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.15
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass165.053826475
Monoisotopic Mass165.053826475
Topological Polar Surface Area85.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity205
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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