2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine

C10H13F3N4 — CID 83778730

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-8(14)9(16-6-7)17-3-1-15-2-4-17/h5-6,15H,1-4,14H2
InChIKeyCBFYYXLCUVJQRQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.09
Rot. Bonds1

About 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine

2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 83778730) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID83778730
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)cnc1N1CCNCC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-8(14)9(16-6-7)17-3-1-15-2-4-17/h5-6,15H,1-4,14H2
InChIKeyCBFYYXLCUVJQRQ-UHFFFAOYSA-N
XLogP1.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-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 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine (CID 83778730) is 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)cnc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is CBFYYXLCUVJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-5-8(14)9(16-6-7)17-3-1-15-2-4-17/h5-6,15H,1-4,14H2.
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine?
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 246.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 83778730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).