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Home > Imidazoles > 138824-80-3
138824-80-3 | 3H-[1,2,4]Triazepino[2,3-a]benzimidazol-4(5H)-one
CAS No: 138824-80-3 Catalog No: AG0019N0 MDL No:
Product Description
Catalog Number:
AG0019N0
Chemical Name:
3H-[1,2,4]Triazepino[2,3-a]benzimidazol-4(5H)-one
CAS Number:
138824-80-3
Molecular Formula:
C10H8N4O
Molecular Weight:
200.1967
IUPAC Name:
3,5-dihydro-[1,2,4]triazepino[2,3-a]benzimidazol-4-one
InChI:
InChI=1S/C10H8N4O/c15-9-5-6-11-14-8-4-2-1-3-7(8)12-10(14)13-9/h1-4,6H,5H2,(H,12,13,15)
InChI Key:
DTTXEYQESNOYTA-UHFFFAOYSA-N
SMILES:
O=C1CC=Nn2c(N1)nc1c2cccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.201g/mol
Monoisotopic Mass:
200.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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