4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine

C22H19Cl2F4N7O2 — CID 90864311

IUPAC4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)C(F)(F)Oc1ccc(Nc2nc(/N=N/Cc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H19Cl2F4N7O2/c23-16-6-1-13(11-17(16)24)12-29-34-20-31-19(32-21(33-20)35-7-9-36-10-8-35)30-14-2-4-15(5-3-14)37-22(27,28)18(25)26/h1-6,11,18H,7-10,12H2,(H,30,31,32,33)/b34-29+
InChIKeyZFSXEXSIESTHRS-RIHQVDFKSA-N
MW560.34 g/mol
LogP6.28
Rot. Bonds9

About 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine

4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 90864311) has the molecular formula C22H19Cl2F4N7O2 and a molecular weight of 560.34 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID90864311
Molecular FormulaC22H19Cl2F4N7O2
Molecular Weight560.34 g/mol
Exact Mass559.09
IUPAC Name4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)C(F)(F)Oc1ccc(Nc2nc(/N=N/Cc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H19Cl2F4N7O2/c23-16-6-1-13(11-17(16)24)12-29-34-20-31-19(32-21(33-20)35-7-9-36-10-8-35)30-14-2-4-15(5-3-14)37-22(27,28)18(25)26/h1-6,11,18H,7-10,12H2,(H,30,31,32,33)/b34-29+
InChIKeyZFSXEXSIESTHRS-RIHQVDFKSA-N
XLogP6.28
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.34
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine (CID 90864311) is 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine is FC(F)C(F)(F)Oc1ccc(Nc2nc(/N=N/Cc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is ZFSXEXSIESTHRS-RIHQVDFKSA-N. The full InChI is InChI=1S/C22H19Cl2F4N7O2/c23-16-6-1-13(11-17(16)24)12-29-34-20-31-19(32-21(33-20)35-7-9-36-10-8-35)30-14-2-4-15(5-3-14)37-22(27,28)18(25)26/h1-6,11,18H,7-10,12H2,(H,30,31,32,33)/b34-29+.
What are the key properties of 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 560.34 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyldiazenyl]-6-morpholin-4-yl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 90864311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).