4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C11H16ClF3N6 — CID 80807541

IUPAC4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16ClF3N6/c1-2-16-9-17-8(12)18-10(19-9)21-5-3-20(4-6-21)7-11(13,14)15/h2-7H2,1H3,(H,16,17,18,19)
InChIKeyMNWHTZLCAUXMMN-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.64
Rot. Bonds4

About 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80807541) has the molecular formula C11H16ClF3N6 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80807541
Molecular FormulaC11H16ClF3N6
Molecular Weight324.74 g/mol
Exact Mass324.11
IUPAC Name4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16ClF3N6/c1-2-16-9-17-8(12)18-10(19-9)21-5-3-20(4-6-21)7-11(13,14)15/h2-7H2,1H3,(H,16,17,18,19)
InChIKeyMNWHTZLCAUXMMN-UHFFFAOYSA-N
XLogP1.64
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-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-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 80807541) is 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is MNWHTZLCAUXMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N6/c1-2-16-9-17-8(12)18-10(19-9)21-5-3-20(4-6-21)7-11(13,14)15/h2-7H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 324.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).