6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine

C66H55Cl3F20N20O6 — CID 172933558

IUPAC6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine
SMILESCCO.Fc1ccc(Nc2nc(Cl)nc(N/N=C/c3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.Fc1ccc(Nc2nc(NCc3ccc(Cl)nc3)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.N/N=C/c1ccc(OC(F)(F)F)cc1.NCc1ccc(Cl)nc1.NN.O=Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H16ClF7N8O.C18H10ClF7N6O.C8H7F3N2O.C8H5F3O2.C6H7ClN2.C2H6O.H4N2/c25-19-8-3-14(10-33-19)11-34-20-37-21(36-15-4-7-18(26)17(9-15)23(27,28)29)39-22(38-20)40-35-12-13-1-5-16(6-2-13)41-24(30,31)32;19-14-29-15(28-10-3-6-13(20)12(7-10)17(21,22)23)31-16(30-14)32-27-8-9-1-4-11(5-2-9)33-18(24,25)26;9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;9-8(10,11)13-7-3-1-6(5-12)2-4-7;7-6-2-1-5(3-8)4-9-6;1-2-3;1-2/h1-10,12H,11H2,(H3,34,36,37,38,39,40);1-8H,(H2,28,29,30,31,32);1-5H,12H2;1-5H;1-2,4H,3,8H2;3H,2H2,1H3;1-2H2/b;27-8+;13-5+;;;;
InChIKeyWFWPPGSJAHMICC-JRNUAYEZSA-N
MW1710.62 g/mol
LogP16.84
Rot. Bonds20

About 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine

6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine (PubChem CID 172933558) has the molecular formula C66H55Cl3F20N20O6 and a molecular weight of 1710.62 g/mol. Its IUPAC name is 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine
PubChem CID172933558
Molecular FormulaC66H55Cl3F20N20O6
Molecular Weight1710.62 g/mol
Exact Mass1708.34
IUPAC Name6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine
SMILESCCO.Fc1ccc(Nc2nc(Cl)nc(N/N=C/c3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.Fc1ccc(Nc2nc(NCc3ccc(Cl)nc3)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.N/N=C/c1ccc(OC(F)(F)F)cc1.NCc1ccc(Cl)nc1.NN.O=Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H16ClF7N8O.C18H10ClF7N6O.C8H7F3N2O.C8H5F3O2.C6H7ClN2.C2H6O.H4N2/c25-19-8-3-14(10-33-19)11-34-20-37-21(36-15-4-7-18(26)17(9-15)23(27,28)29)39-22(38-20)40-35-12-13-1-5-16(6-2-13)41-24(30,31)32;19-14-29-15(28-10-3-6-13(20)12(7-10)17(21,22)23)31-16(30-14)32-27-8-9-1-4-11(5-2-9)33-18(24,25)26;9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;9-8(10,11)13-7-3-1-6(5-12)2-4-7;7-6-2-1-5(3-8)4-9-6;1-2-3;1-2/h1-10,12H,11H2,(H3,34,36,37,38,39,40);1-8H,(H2,28,29,30,31,32);1-5H,12H2;1-5H;1-2,4H,3,8H2;3H,2H2,1H3;1-2H2/b;27-8+;13-5+;;;;
InChIKeyWFWPPGSJAHMICC-JRNUAYEZSA-N
XLogP16.84
TPSA378.65 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001710.62
LogP ≤ 516.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine?
The IUPAC name of 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine (CID 172933558) is 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine.
What is the SMILES notation for 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine?
The canonical SMILES for 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine is CCO.Fc1ccc(Nc2nc(Cl)nc(N/N=C/c3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.Fc1ccc(Nc2nc(NCc3ccc(Cl)nc3)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F.N/N=C/c1ccc(OC(F)(F)F)cc1.NCc1ccc(Cl)nc1.NN.O=Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine?
The InChIKey is WFWPPGSJAHMICC-JRNUAYEZSA-N. The full InChI is InChI=1S/C24H16ClF7N8O.C18H10ClF7N6O.C8H7F3N2O.C8H5F3O2.C6H7ClN2.C2H6O.H4N2/c25-19-8-3-14(10-33-19)11-34-20-37-21(36-15-4-7-18(26)17(9-15)23(27,28)29)39-22(38-20)40-35-12-13-1-5-16(6-2-13)41-24(30,31)32;19-14-29-15(28-10-3-6-13(20)12(7-10)17(21,22)23)31-16(30-14)32-27-8-9-1-4-11(5-2-9)33-18(24,25)26;9-8(10,11)14-7-3-1-6(2-4-7)5-13-12;9-8(10,11)13-7-3-1-6(5-12)2-4-7;7-6-2-1-5(3-8)4-9-6;1-2-3;1-2/h1-10,12H,11H2,(H3,34,36,37,38,39,40);1-8H,(H2,28,29,30,31,32);1-5H,12H2;1-5H;1-2,4H,3,8H2;3H,2H2,1H3;1-2H2/b;27-8+;13-5+;;;;.
What are the key properties of 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine?
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine has a molecular weight of 1710.62 g/mol, XLogP of 16.84, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;(6-chloro-3-pyridinyl)methanamine;6-N-[(6-chloro-3-pyridinyl)methyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;ethanol;hydrazine;4-(trifluoromethoxy)benzaldehyde;(E)-[4-(trifluoromethoxy)phenyl]methylidenehydrazine is sourced from PubChem (CID 172933558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).