Cas no 58502-29-7 ((1H-1,2,4-triazol-5-yl)methanamine)

(1H-1,2,4-triazol-5-yl)methanamine structure
58502-29-7 structure
Product Name:(1H-1,2,4-triazol-5-yl)methanamine
CAS No:58502-29-7
MF:C3H6N4
MW:98.1065392494202
MDL:MFCD06410878
CID:851618
PubChem ID:427860
Update Time:2025-04-19

(1H-1,2,4-triazol-5-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 1H-1,2,4-TRIAZOLE-3-METHANAMINE
    • 1H-1,2,4-triazol-5-ylmethanamine
    • 2H-[1,2,4]Triazol-3-yl-methylamine
    • 3-Aminomethyl-1,2,4-triazol
    • (1H-1,2,4-TRIAZOL-3-YL)METHANAMINE
    • 3-(Aminomethyl)-1,2,4-triazole
    • 1-(4H-1,2,4-triazol-3-yl)methanamine
    • 4H-1,2,4-triazol-3-ylmethanamine
    • LEPSDPCROOMBQG-UHFFFAOYSA-N
    • 1H-1,2,4-Triazole-5-methaneamine
    • 1729AJ
    • AB25050
    • AB53782
    • (1H-1,2,4-triazol-5-yl)methanamine
    • 2H-[1,2,4]
    • EN300-30460
    • 1H-1,2,4-Triazole-3-methanamine, AldrichCPR
    • AKOS016344792
    • (4H-1,2,4-TRIAZOL-3-YL)METHANAMINE
    • AC-13685
    • 1H-1,2,4-Triazole-5-methanamine
    • 58502-29-7
    • AKOS015830676
    • SY035453
    • AKOS009158886
    • F3367-0202
    • AS-60531
    • CS-0432826
    • AB01005624-01
    • DTXSID80330211
    • AC1019
    • MFCD06410878
    • DB-072490
    • 1-(1H-1,2,4-triazol-5-yl)methanamine
    • 1-(1H-1,2,4-TRIAZOL-3-YL)METHANAMINE
    • ALBB-030501
    • MDL: MFCD06410878
    • Inchi: 1S/C3H6N4/c4-1-3-5-2-6-7-3/h2H,1,4H2,(H,5,6,7)
    • InChI Key: LEPSDPCROOMBQG-UHFFFAOYSA-N
    • SMILES: N1C(CN)=NC=N1

Computed Properties

  • Exact Mass: 98.05920
  • Monoisotopic Mass: 98.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 54.9
  • 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
  • Topological Polar Surface Area: 67.6
  • XLogP3: -1.1

Experimental Properties

  • Density: 1.322
  • Boiling Point: 313.2±44.0℃ at 760 mmHg
  • Flash Point: 169°C
  • Refractive Index: 1.598
  • PSA: 67.59000
  • LogP: -0.03630

(1H-1,2,4-triazol-5-yl)methanamine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

(1H-1,2,4-triazol-5-yl)methanamine Pricemore >>

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