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

C16H17Cl2F3N6O — CID 118165985

IUPAC6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2F3N6O/c17-11-3-1-2-10(12(11)18)13-14(22)23-15(25-24-13)27-6-4-26(5-7-27)8-9-28-16(19,20)21/h1-3H,4-9H2,(H2,22,23,25)
InChIKeyBRTRGTNTZBDRCL-UHFFFAOYSA-N
MW437.25 g/mol
LogP3.09
Rot. Bonds5

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

6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 118165985) has the molecular formula C16H17Cl2F3N6O and a molecular weight of 437.25 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID118165985
Molecular FormulaC16H17Cl2F3N6O
Molecular Weight437.25 g/mol
Exact Mass436.08
IUPAC Name6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2F3N6O/c17-11-3-1-2-10(12(11)18)13-14(22)23-15(25-24-13)27-6-4-26(5-7-27)8-9-28-16(19,20)21/h1-3H,4-9H2,(H2,22,23,25)
InChIKeyBRTRGTNTZBDRCL-UHFFFAOYSA-N
XLogP3.09
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]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

Related Compounds

3-(4-Amino-4-methyl-1-piperidinyl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 118239663
4-[6-(2,3-Dichlorophenyl)-1,2,4-triazin-3-yl]morpholine
CID 46226407
N2-Methyl lamotrigine
CID 91810661
6-(2,3-Dichlorophenyl)-3-(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)-1,2,4-triazin-5-amine
CID 118165982
(S)-3-((2-((5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)amino)ethyl)(methyl)amino)-1,1,1-trifluoropropan-2-ol
CID 118166045
6-(2,3-Dichlorophenyl)-3-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)-1,2,4-triazin-5-amine
CID 118166197
6-(3,4-dichlorophenyl)-3-N-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethyl]-1,2,4-triazine-3,5-diamine
CID 118166210
1-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 118190291
S)-3-((2-((5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)(methyl)amino)ethyl)amino)-1,1,1-trifluoropropan-2-ol
CID 118190292
(R)-5-amino-3-N-[3-(hydroxymethyl)piperazin-1-yl] 5''-fluoro lamotrigine
CID 118190351
3-N-piperazin-1-yl 5-fluoro lamotrigine
CID 118190438
1-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-3-(trifluoromethyl)azetidin-3-ol
CID 118190449

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine (CID 118165985) is 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine is Nc1nc(N2CCN(CCOC(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is BRTRGTNTZBDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2F3N6O/c17-11-3-1-2-10(12(11)18)13-14(22)23-15(25-24-13)27-6-4-26(5-7-27)8-9-28-16(19,20)21/h1-3H,4-9H2,(H2,22,23,25).
What are the key properties of 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 437.25 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 118165985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).