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1,2,4-Triazole

CAT: 0572-TRC-T767410-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T767410-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
288-88-0
Synonyms
1H-1,2,4-Triazol
Hazard Statement
Harmful if swallowed
Purity
>95% (GC)
Smiles
c1nc[nH]n1
Molecular Formula
C2 H3 N3
Molecular Weight
69.07
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
Additionnal Information
IUPAC name: 1H-1,2,4-triazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1H-1,2,4-Triazole

1H-1,2,4-triazole is a 1,2,4-triazole. It is a tautomer of a 3H-1,2,4-triazole and a 4H-1,2,4-triazole.

CAS Number288-88-0
PubChem CID9257
IUPAC Name1H-1,2,4-triazole
Molecular FormulaC2H3N3
Molecular Weight69.07
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
C1=NC=NN1
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKey
NSPMIYGKQJPBQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-1,2,4-Triazole
CAS: 288-88-0
CID: 9257
Formula: C2H3N3
MW: 69.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight69.07
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass69.032697108
Monoisotopic Mass69.032697108
Topological Polar Surface Area41.6 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.1
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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