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1,2,4-Triazole-d3

CAT: 0572-TRC-T767411-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T767411-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43088-92-2
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]c1nc([2H])n([2H])n1
Molecular Formula
C2 D3 N3
Molecular Weight
72.084
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)/i1D,2D/hD
Additionnal Information
IUPAC name: 1,3,5-trideuterio-1,2,4-triazole
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,2,4-Triazole-D3
CAS Number43088-92-2
PubChem CID57608540
IUPAC Name1,3,5-trideuterio-1,2,4-triazole
Molecular FormulaC2H3N3
Molecular Weight72.08
XLogP-0.6
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity28
SMILES
[2H]C1=NN(C(=N1)[2H])[2H]
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)/i1D,2D/hD
InChIKey
NSPMIYGKQJPBQR-ILCKQIEWSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Triazole-D3
CAS: 43088-92-2
CID: 57608540
Formula: C2H3N3
MW: 72.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight72.08
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass72.051527346
Monoisotopic Mass72.051527346
Topological Polar Surface Area41.6 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.1
Isotope Atom Count3
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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CatalogName
HY-Y0219S1-011,2,4-Triazole-d3
DE10084-Bromo-2- (methyl-D3) -2H-1,2,3-triazole
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FT31679-011,2,4-Triazole
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AR-N08073-014-Nitroso-1,2,4-Triazole
290820-011,2,4-Triazole sodium
HY-Y0219A-011,2,4-Triazole (sodium)
11912640 5001,2,4-Triazole For Synthesis
HY-Y0219R-011,2,4-Triazole (Standard)

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