4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine

C14H15F3N6 — CID 90645162

IUPAC4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1
InChIInChI=1S/C14H15F3N6/c1-22-2-4-23(5-3-22)14-20-12(19-13(18)21-14)8-6-9(15)11(17)10(16)7-8/h6-7H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyZVTDXJRLYVHFLH-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.29
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 90645162) has the molecular formula C14H15F3N6 and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
PubChem CID90645162
Molecular FormulaC14H15F3N6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1
InChIInChI=1S/C14H15F3N6/c1-22-2-4-23(5-3-22)14-20-12(19-13(18)21-14)8-6-9(15)11(17)10(16)7-8/h6-7H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyZVTDXJRLYVHFLH-UHFFFAOYSA-N
XLogP1.29
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine (CID 90645162) is 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3cc(F)c(F)c(F)c3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is ZVTDXJRLYVHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6/c1-22-2-4-23(5-3-22)14-20-12(19-13(18)21-14)8-6-9(15)11(17)10(16)7-8/h6-7H,2-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 324.31 g/mol, XLogP of 1.29, 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-(3,4,5-trifluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).