$5-(2,4-dichlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine structure$

5-(2,4-dichlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine

1. Names and Identifiers

1.1 Name: 5-(2,4-dichlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine

1.2 Synonyms: 3-(2,4-DICHLOROPHENYL)-8-(TRIFLUOROMETHYL)PYRIDO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDIN-5-AMINE; 3-(2,4-DICHLOROPHENYL)-8-(TRIFLUOROMETHYL)PYRIDO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDIN-5-YLAMINE; Pyrido[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine, 3-(2,4-dichlorophenyl)-8-(trifluoromethyl)-;

1.6 Inchi: InChI=1S/C15H7Cl2F3N6/c16-7-1-2-8(9(17)4-7)11-14-23-13(21)12-10(26(14)25-24-11)3-6(5-22-12)15(18,19)20/h1-5H,(H2,21,23)

1.8 Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)C2=C3N=C(C4=C(N3N=N2)C=C(C=N4)C(F)(F)F)N

1.9 Isomers Smiles: C1=CC(=C(C=C1Cl)Cl)C2=C3N=C(C4=C(N3N=N2)C=C(C=N4)C(F)(F)F)N

2. Properties

3. Computed Properties

Molecular Weight：399.158g/mol
Molecular Formula：C₁₅H₇Cl₂F₃N₆
Compound Is Canonicalized：True
Exact Mass：3.6
XLogP3-AA：398.0061341
Monoisotopic Mass：398.0061341
Complexity：526
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：8
Topological Polar Surface Area：82
Heavy Atom Count：：26
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBzgYAGAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFix/AAAHQIYAAAADArBHzQ98L5IEACiAzZnZACChC8xF6Ad2CA4dpiIaOLB29GUJAhogALIyCcQgIAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

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5. Realated Product Infomation

1. Names and Identifiers

2. Properties