4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C10H6ClF3N4O — CID 116629481

IUPAC4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C10H6ClF3N4O/c11-8-16-7(17-9(15)18-8)5-1-3-6(4-2-5)19-10(12,13)14/h1-4H,(H2,15,16,17,18)
InChIKeyLITIZGFZXZMGEZ-UHFFFAOYSA-N
MW290.63 g/mol
LogP2.67
Rot. Bonds2

About 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 116629481) has the molecular formula C10H6ClF3N4O and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID116629481
Molecular FormulaC10H6ClF3N4O
Molecular Weight290.63 g/mol
Exact Mass290.02
IUPAC Name4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C10H6ClF3N4O/c11-8-16-7(17-9(15)18-8)5-1-3-6(4-2-5)19-10(12,13)14/h1-4H,(H2,15,16,17,18)
InChIKeyLITIZGFZXZMGEZ-UHFFFAOYSA-N
XLogP2.67
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[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-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805
5-(4-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 155586796
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 116629481) is 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is LITIZGFZXZMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O/c11-8-16-7(17-9(15)18-8)5-1-3-6(4-2-5)19-10(12,13)14/h1-4H,(H2,15,16,17,18).
What are the key properties of 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 290.63 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 116629481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).