Cas no 28824-81-9 (2-(4H-1,2,4-triazol-3-yl)acetonitrile)

2-(4H-1,2,4-triazol-3-yl)acetonitrile structure
28824-81-9 structure
Product Name:2-(4H-1,2,4-triazol-3-yl)acetonitrile
CAS No:28824-81-9
MF:C4H4N4
MW:108.101359367371
MDL:MFCD03990512
CID:2619160
PubChem ID:1382059
Update Time:2025-04-21

2-(4H-1,2,4-triazol-3-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4H-1,2,4-triazol-3-yl)acetonitrile
    • (4H-[1,2,4]Triazol-3-yl)acetonitrile
    • 982-271-3
    • MFCD03990512
    • MOTRJRQYFMTRNY-UHFFFAOYSA-N
    • SCHEMBL21293466
    • 3-(cyanomethyl)-1,2,4-triazole
    • AKOS006343772
    • AC-907/25004289
    • (4H-1,2,4-Triazol-3-yl)acetonitrile
    • EN300-342017
    • 3-(Cyanomethyl)-4H-1,2,4-triazole
    • 3-cyanomethyl-s-triazole
    • Z1201622614
    • CS-0246724
    • 2-(1H-1,2,4-triazol-5-yl)acetonitrile
    • 28824-81-9
    • MDL: MFCD03990512
    • Inchi: 1S/C4H4N4/c5-2-1-4-6-3-7-8-4/h3H,1H2,(H,6,7,8)
    • InChI Key: MOTRJRQYFMTRNY-UHFFFAOYSA-N
    • SMILES: N1C(CC#N)=NC=N1

Computed Properties

  • Exact Mass: 108.043596145Da
  • Monoisotopic Mass: 108.043596145Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 112
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 65.4?2

2-(4H-1,2,4-triazol-3-yl)acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB237022-500 mg
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abcr
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abcr
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Enamine
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Enamine
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Enamine
EN300-1812242-0.5g
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Enamine
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Enamine
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