Cas no 22123-97-3 (2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one)

2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one structure
22123-97-3 structure
Product Name:2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one
CAS No:22123-97-3
MF:C9H11N3O
MW:177.203141450882
MDL:MFCD20676138
CID:278101
PubChem ID:318737
Update Time:2025-04-19

2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrido[2,3-b][1,4]diazepin-4-one,1,2,3,5-tetrahydro-2-methyl-
    • 2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one
    • 2-methyl-1,2,3,5-tetrahydro-pyrido[3,4-b][1,4]diazepin-4-one
    • 2-Methyl-2,3,4,5-tetrahydro-1H-pyrido< 2,3-b> < 1,4> diazepinon-(4)
    • AC1L7YRA
    • NSC257829
    • 2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one
    • 2-methyl-1H,2H,3H,4H,5H-pyrido[2,3-b][1,4]diazepin-4-one
    • EN300-8142958
    • NSC-257829
    • DTXSID60312555
    • 22123-97-3
    • MDL: MFCD20676138
    • Inchi: 1S/C9H11N3O/c1-6-5-8(13)12-9-7(11-6)3-2-4-10-9/h2-4,6,11H,5H2,1H3,(H,10,12,13)
    • InChI Key: DGULOVDHZKKDAL-UHFFFAOYSA-N
    • SMILES: O=C1CC(C)NC2=CC=CN=C2N1

Computed Properties

  • Exact Mass: 177.09033
  • Monoisotopic Mass: 177.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 54?2

Experimental Properties

  • Density: 1.137
  • Boiling Point: 404.4°Cat760mmHg
  • Flash Point: 198.4°C
  • Refractive Index: 1.529
  • PSA: 54.02
  • LogP: 1.50020

2-methyl-1H,2H,3H,4H,5H-pyrido2,3-b1,4diazepin-4-one Pricemore >>

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