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Home > Pyridines > 1882492-42-3
1882492-42-3 | 3-methyl-1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS No: 1882492-42-3 Catalog No: AG01EJ5M MDL No:
Product Description
Catalog Number:
AG01EJ5M
Chemical Name:
3-methyl-1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS Number:
1882492-42-3
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
IUPAC Name:
3-methyl-1,3,4,5-tetrahydropyrido[3,4-b][1,4]diazepin-2-one
InChI:
InChI=1S/C9H11N3O/c1-6-4-11-8-5-10-3-2-7(8)12-9(6)13/h2-3,5-6,11H,4H2,1H3,(H,12,13)
InChI Key:
WINDCLVBRARWJC-UHFFFAOYSA-N
SMILES:
CC1CNc2c(NC1=O)ccnc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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