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870284-22-3 | 1,3,5-Triazine-2,4-diamine, 6-(5-quinolinyl)-
CAS No: 870284-22-3 Catalog No: AG004JXC MDL No:
Product Description
Catalog Number:
AG004JXC
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-(5-quinolinyl)-
CAS Number:
870284-22-3
Molecular Formula:
C12H10N6
Molecular Weight:
238.2480
IUPAC Name:
6-quinolin-5-yl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C12H10N6/c13-11-16-10(17-12(14)18-11)8-3-1-5-9-7(8)4-2-6-15-9/h1-6H,(H4,13,14,16,17,18)
InChI Key:
JLZDNXQIAVINCV-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(n1)c1cccc2c1cccn2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.254g/mol
Monoisotopic Mass:
238.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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