4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C19H12Cl2F6N6O2 — CID 90735212

IUPAC4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(/N=N/Cc2c(Cl)cccc2Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H12Cl2F6N6O2/c20-13-2-1-3-14(21)12(13)8-28-33-16-30-15(31-17(32-16)34-9-18(22,23)24)29-10-4-6-11(7-5-10)35-19(25,26)27/h1-7H,8-9H2,(H,29,30,31,32)/b33-28+
InChIKeyJTVIEUXQBGZRKF-PJJLUWSFSA-N
MW541.24 g/mol
LogP7.05
Rot. Bonds8

About 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 90735212) has the molecular formula C19H12Cl2F6N6O2 and a molecular weight of 541.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID90735212
Molecular FormulaC19H12Cl2F6N6O2
Molecular Weight541.24 g/mol
Exact Mass540.03
IUPAC Name4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(/N=N/Cc2c(Cl)cccc2Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H12Cl2F6N6O2/c20-13-2-1-3-14(21)12(13)8-28-33-16-30-15(31-17(32-16)34-9-18(22,23)24)29-10-4-6-11(7-5-10)35-19(25,26)27/h1-7H,8-9H2,(H,29,30,31,32)/b33-28+
InChIKeyJTVIEUXQBGZRKF-PJJLUWSFSA-N
XLogP7.05
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.24
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)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

Related Compounds

4-N-methyl-6-(2,2,2-trifluoroethoxy)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 1044905
2-N-butan-2-yl-6-(2,2,2-trifluoroethoxy)-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 5171027
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 126478513
4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine
CID 123808897
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
6-chloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[[4-(trifluoromethoxy)phenyl]methyldiazenyl]pyrimidin-4-amine
CID 91541615
4-[[4-(2,2-difluoroethyl)phenyl]methyldiazenyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 123356804
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
2-N-[4-(aminomethyl)phenyl]-4-N-[[3-(aminomethyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67074644
5,6-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethoxy)phenyl]methyldiazenyl]pyrimidin-4-amine
CID 91384924
N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
CID 11338621
3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 177312599

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 90735212) is 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(/N=N/Cc2c(Cl)cccc2Cl)nc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is JTVIEUXQBGZRKF-PJJLUWSFSA-N. The full InChI is InChI=1S/C19H12Cl2F6N6O2/c20-13-2-1-3-14(21)12(13)8-28-33-16-30-15(31-17(32-16)34-9-18(22,23)24)29-10-4-6-11(7-5-10)35-19(25,26)27/h1-7H,8-9H2,(H,29,30,31,32)/b33-28+.
What are the key properties of 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 541.24 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 90735212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).