N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

C11H15F3N4 — CID 90405811

IUPACN-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1NCCC[C@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,17,18)/t7-,8+/m0/s1
InChIKeyOMBZCXNZKFAHPP-JGVFFNPUSA-N
MW260.26 g/mol
LogP2.05
Rot. Bonds2

About N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine

N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 90405811) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID90405811
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1NCCC[C@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,17,18)/t7-,8+/m0/s1
InChIKeyOMBZCXNZKFAHPP-JGVFFNPUSA-N
XLogP2.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-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 N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine (CID 90405811) is N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is C[C@@H]1NCCC[C@H]1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is OMBZCXNZKFAHPP-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-8(3-2-4-15-7)18-10-6-16-9(5-17-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,17,18)/t7-,8+/m0/s1.
What are the key properties of N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 90405811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).