4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C15H17F3N6 — CID 90645154

IUPAC4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)14-21-12(20-13(19)22-14)10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeyGVNBKNZVBXZOJV-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.89
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 90645154) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID90645154
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)14-21-12(20-13(19)22-14)10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeyGVNBKNZVBXZOJV-UHFFFAOYSA-N
XLogP1.89
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 90645154) is 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is GVNBKNZVBXZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c1-23-6-8-24(9-7-23)14-21-12(20-13(19)22-14)10-2-4-11(5-3-10)15(16,17)18/h2-5H,6-9H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 338.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).