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

C12H12ClF3N4O — CID 67016035

IUPAC6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine
SMILESCCOC1N=C(Cl)N=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12ClF3N4O/c1-2-21-11-19-9(13)18-10(17)20(11)8-5-3-4-7(6-8)12(14,15)16/h3-6,11H,2H2,1H3,(H2,17,18,19)
InChIKeyHHZSEDIARIPKNI-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.76
Rot. Bonds3

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

6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine (PubChem CID 67016035) has the molecular formula C12H12ClF3N4O and a molecular weight of 320.70 g/mol. Its IUPAC name is 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine
PubChem CID67016035
Molecular FormulaC12H12ClF3N4O
Molecular Weight320.70 g/mol
Exact Mass320.07
IUPAC Name6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine
SMILESCCOC1N=C(Cl)N=C(N)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12ClF3N4O/c1-2-21-11-19-9(13)18-10(17)20(11)8-5-3-4-7(6-8)12(14,15)16/h3-6,11H,2H2,1H3,(H2,17,18,19)
InChIKeyHHZSEDIARIPKNI-UHFFFAOYSA-N
XLogP2.76
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine?
The IUPAC name of 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine (CID 67016035) is 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine is CCOC1N=C(Cl)N=C(N)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine?
The InChIKey is HHZSEDIARIPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4O/c1-2-21-11-19-9(13)18-10(17)20(11)8-5-3-4-7(6-8)12(14,15)16/h3-6,11H,2H2,1H3,(H2,17,18,19).
What are the key properties of 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine?
6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine has a molecular weight of 320.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine is sourced from PubChem (CID 67016035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).