200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 89608-62-8
89608-62-8 | 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 3,5-dihydro-3-phenyl-
CAS No: 89608-62-8 Catalog No: AG003YQ5 MDL No:
Product Description
Catalog Number:
AG003YQ5
Chemical Name:
4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 3,5-dihydro-3-phenyl-
CAS Number:
89608-62-8
Molecular Formula:
C10H7N5O
Molecular Weight:
213.1955
IUPAC Name:
3-phenyl-5H-imidazo[4,5-d]triazin-4-one
InChI:
InChI=1S/C10H7N5O/c16-10-8-9(12-6-11-8)13-14-15(10)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
COOFMTJQLGQFOF-UHFFFAOYSA-N
SMILES:
O=c1c2[nH]cnc2nnn1c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.2g/mol
Monoisotopic Mass:
213.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.