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88330-72-7 | 4H-[1,2,4]Triazino[3,4-a]phthalazin-4-one, 3-[2-oxo-2-(3-pyridinyl)ethyl]-
CAS No: 88330-72-7 Catalog No: AG00483M MDL No:
Product Description
Catalog Number:
AG00483M
Chemical Name:
4H-[1,2,4]Triazino[3,4-a]phthalazin-4-one, 3-[2-oxo-2-(3-pyridinyl)ethyl]-
CAS Number:
88330-72-7
Molecular Formula:
C17H11N5O2
Molecular Weight:
317.3015
IUPAC Name:
3-(2-oxo-2-pyridin-3-ylethyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
InChI:
InChI=1S/C17H11N5O2/c23-15(12-5-3-7-18-9-12)8-14-17(24)22-16(21-20-14)13-6-2-1-4-11(13)10-19-22/h1-7,9-10H,8H2
InChI Key:
AWDLZRWQBQKQQC-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Cc1nnc2n(c1=O)ncc1c2cccc1
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.308g/mol
Monoisotopic Mass:
317.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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