1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol

C15H14Cl2F3N5O — CID 118190291

IUPAC1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1nc(N2CCC(O)(C(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2F3N5O/c16-9-3-1-2-8(10(9)17)11-12(21)22-13(24-23-11)25-6-4-14(26,5-7-25)15(18,19)20/h1-3,26H,4-7H2,(H2,21,22,24)
InChIKeyFHTDTUJWECPZFC-UHFFFAOYSA-N
MW408.21 g/mol
LogP3.32
Rot. Bonds2

About 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 118190291) has the molecular formula C15H14Cl2F3N5O and a molecular weight of 408.21 g/mol. Its IUPAC name is 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID118190291
Molecular FormulaC15H14Cl2F3N5O
Molecular Weight408.21 g/mol
Exact Mass407.05
IUPAC Name1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1nc(N2CCC(O)(C(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2F3N5O/c16-9-3-1-2-8(10(9)17)11-12(21)22-13(24-23-11)25-6-4-14(26,5-7-25)15(18,19)20/h1-3,26H,4-7H2,(H2,21,22,24)
InChIKeyFHTDTUJWECPZFC-UHFFFAOYSA-N
XLogP3.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol 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

Lamotrigine
CID 3878
3-(4-Amino-4-methyl-1-piperidinyl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 118239663
N2-Methyl lamotrigine
CID 91810661
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine-13C3
CID 45039644
6-(2,3-Dichlorophenyl)-3-(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)-1,2,4-triazin-5-amine
CID 118165982
6-(2,3-Dichlorophenyl)-3-(4-(2-(trifluoromethoxy)ethyl)piperazin-1-yl)-1,2,4-triazin-5-amine
CID 118165985
(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
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 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 118190291) is 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol is Nc1nc(N2CCC(O)(C(F)(F)F)CC2)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is FHTDTUJWECPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F3N5O/c16-9-3-1-2-8(10(9)17)11-12(21)22-13(24-23-11)25-6-4-14(26,5-7-25)15(18,19)20/h1-3,26H,4-7H2,(H2,21,22,24).
What are the key properties of 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 408.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 118190291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).