Cas no 29868-30-2 (1H-Imidazole-5-carboxamide,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-)

1H-Imidazole-5-carboxamide,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)- structure
29868-30-2 structure
Product Name:1H-Imidazole-5-carboxamide,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-
CAS No:29868-30-2
MF:C9H14N4O4
MW:242.231861591339
CID:267173
PubChem ID:280439
Update Time:2025-04-19

1H-Imidazole-5-carboxamide,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxamide,4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-
    • 3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
    • 3-amino-5-(2-pyridyl)-1,2,4-triazole
    • 4-amino-1-(2-deoxy-D-ribofuranosyl)imidazole-5-carboxamide
    • 5-(pyridin-2-yl)-4H-1,2,4-triazol-3-amine
    • 5-amino-3-(pyridin-2-yl)-1,2,4-triazole
    • AC1Q534A
    • AGN-PC-00JP90
    • CHEMBL295684
    • CTK5F0685
    • STOCK7S-04032
    • SureCN2553549
    • SureCN3705717
    • SureCN5789993
    • NSC-132070
    • 29868-30-2
    • NSC132070
    • 4-Amino-1-(2-deoxypentofuranosyl)-1H-imidazole-5-carboximidic acid
    • DTXSID90952327
    • Inchi: 1S/C9H14N4O4/c10-8-7(9(11)16)13(3-12-8)6-1-4(15)5(2-14)17-6/h3-6,14-15H,1-2,10H2,(H2,11,16)
    • InChI Key: MBFCLZKJMPEDQV-UHFFFAOYSA-N
    • SMILES: O1C(CO)C(CC1N1C=NC(=C1C(N)=O)N)O

Computed Properties

  • Exact Mass: 242.102
  • Monoisotopic Mass: 242.102
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 137?2

Experimental Properties

  • Density: 1.89
  • Boiling Point: 675.2°Cat760mmHg
  • Flash Point: 362.1°C
  • Refractive Index: 1.78
  • PSA: 136.62000
  • LogP: -0.51360
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