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24886-52-0 | 5H-Pyridazino[3,4-b][1,4]benzoxazine, 5-methyl-3-(4-methyl-1-piperazinyl)-
CAS No: 24886-52-0 Catalog No: AG002PPX MDL No:MFCD00409223
Product Description
Catalog Number:
AG002PPX
Chemical Name:
5H-Pyridazino[3,4-b][1,4]benzoxazine, 5-methyl-3-(4-methyl-1-piperazinyl)-
CAS Number:
24886-52-0
Molecular Formula:
C16H19N5O
Molecular Weight:
297.3550
MDL Number:
MFCD00409223
IUPAC Name:
5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine
InChI:
InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3
InChI Key:
SDYYIRPAZHJOLM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nnc2c(c1)N(C)c1c(O2)cccc1
UNII:
P8T739L1FA
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.362g/mol
Monoisotopic Mass:
297.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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