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Home > Imidazoles > 139173-34-5
139173-34-5 | Imidazo[4,5-d][1,3]diazepine-5,8-dione, 1,4,6,7-tetrahydro-
CAS No: 139173-34-5 Catalog No: AG006Y88 MDL No:
Product Description
Catalog Number:
AG006Y88
Chemical Name:
Imidazo[4,5-d][1,3]diazepine-5,8-dione, 1,4,6,7-tetrahydro-
CAS Number:
139173-34-5
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
IUPAC Name:
1,4,6,7-tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione
InChI:
InChI=1S/C6H6N4O2/c11-3-1-7-6(12)10-5-4(3)8-2-9-5/h2H,1H2,(H,8,9)(H2,7,10,12)
InChI Key:
OSHGFPDIPWJEEL-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)c2c(N1)nc[nH]2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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