6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine

C15H15Cl2F3N6 — CID 118166197

IUPAC6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2F3N6/c16-10-3-1-2-9(11(10)17)12-13(21)22-14(24-23-12)26-6-4-25(5-7-26)8-15(18,19)20/h1-3H,4-8H2,(H2,21,22,24)
InChIKeyPXDOMDDJQSWMKY-UHFFFAOYSA-N
MW407.23 g/mol
LogP3.11
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine

6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 118166197) has the molecular formula C15H15Cl2F3N6 and a molecular weight of 407.23 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID118166197
Molecular FormulaC15H15Cl2F3N6
Molecular Weight407.23 g/mol
Exact Mass406.07
IUPAC Name6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2F3N6/c16-10-3-1-2-9(11(10)17)12-13(21)22-14(24-23-12)26-6-4-25(5-7-26)8-15(18,19)20/h1-3H,4-8H2,(H2,21,22,24)
InChIKeyPXDOMDDJQSWMKY-UHFFFAOYSA-N
XLogP3.11
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-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 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 118166197) is 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine is Nc1nc(N2CCN(CC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is PXDOMDDJQSWMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3N6/c16-10-3-1-2-9(11(10)17)12-13(21)22-14(24-23-12)26-6-4-25(5-7-26)8-15(18,19)20/h1-3H,4-8H2,(H2,21,22,24).
What are the key properties of 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 407.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 118166197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).