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4-Methylurazole

CAT: 0024-sc-232901BSize: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232901BSize:10 g
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CAS Number
16312-79-1

Chemical Information

4-Methyl-1,2,4-triazolidine-3,5-dione
CAS Number16312-79-1
PubChem CID177735
IUPAC Name4-methyl-1,2,4-triazolidine-3,5-dione
Molecular FormulaC3H5N3O2
Molecular Weight115.09
XLogP-0.9
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity127
SMILES
CN1C(=O)NNC1=O
InChI
InChI=1S/C3H5N3O2/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)
InChIKey
XJOOWWMZMXBLAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-1,2,4-triazolidine-3,5-dione
CAS: 16312-79-1
CID: 177735
Formula: C3H5N3O2
MW: 115.09
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.09
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass115.038176411
Monoisotopic Mass115.038176411
Topological Polar Surface Area61.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity127
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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Alternative Products

CatalogName
1615104-Methylurazole
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PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
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