4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C15H17F3N6 — CID 112746482

IUPAC4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCN(Cc3ccccc3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)12-20-13(19)22-14(21-12)24-8-6-23(7-9-24)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,20,21,22)
InChIKeyZYXMKPHMZHNHIU-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.79
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 112746482) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID112746482
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCN(Cc3ccccc3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)12-20-13(19)22-14(21-12)24-8-6-23(7-9-24)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,20,21,22)
InChIKeyZYXMKPHMZHNHIU-UHFFFAOYSA-N
XLogP1.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-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

2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine chloride
CID 53346658
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740
1-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one;hydrochloride
CID 24845652
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
CID 136557229
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 112746482) is 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZYXMKPHMZHNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c16-15(17,18)12-20-13(19)22-14(21-12)24-8-6-23(7-9-24)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,20,21,22).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 338.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112746482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).