Cas no 710349-41-0 (1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one)

1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one structure
710349-41-0 structure
Product Name:1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one
CAS No:710349-41-0
MF:C8H9N3O
MW:163.176561117172
CID:557938
PubChem ID:79006889
Update Time:2025-04-19

1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrido[3,4-b][1,4]diazepin-4-one,1,2,3,5-tetrahydro-
    • 1,3,4,5-tetrahydropyrido[3,4-b][1,4]diazepin-2-one
    • 4,5-DIHYDRO-1H-PYRIDO[3,4-B][1,4]DIAZEPIN-2(3H)-ONE
    • 1,2,3,5-tetrahydro-4H-pyrido[3,4-b][1,4]diazepin-4-one
    • 1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
    • 4H-Pyrido[3,4-b][1,4]diazepin-4-one,1,2,3,5-tetrahydro
    • 1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one
    • DTXSID80703527
    • EN300-105503
    • 710349-41-0
    • 1,3,4,5-Tetrahydro-2H-pyrido[3,4-b][1,4]diazepin-2-one
    • CHEMBL4545580
    • CS-0230755
    • AKOS006284019
    • 885271-88-5
    • Inchi： 1S/C8H9N3O/c12-8-2-4-10-7-5-9-3-1-6(7)11-8/h1,3,5,10H,2,4H2,(H,11,12)
    • InChI Key： UYIOCMHUUSPSCO-UHFFFAOYSA-N
    • SMILES： O=C1CCNC2C=NC=CC=2N1

Computed Properties

  • Exact Mass: 163.07500
  • Monoisotopic Mass: 163.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 54A^2
  • XLogP3: -0.3

Experimental Properties

  • PSA: 54.02000
  • LogP: 1.11170

1H,2H,3H,4H,5H-pyrido3,4-b1,4diazepin-4-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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A2B Chem LLC
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A2B Chem LLC
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