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Home > Pyridines > 885271-88-5
885271-88-5 | 1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS No: 885271-88-5 Catalog No: AG019ZDY MDL No:MFCD08234946
Product Description
Catalog Number:
AG019ZDY
Chemical Name:
1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS Number:
885271-88-5
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD08234946
IUPAC Name:
1,3,4,5-tetrahydropyrido[3,4-b][1,4]diazepin-2-one
InChI:
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(N1)ccnc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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