[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine

C11H13F3N4 — CID 114489477

IUPAC[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)8-1-3-18(4-2-8)10-7-16-9(5-15)6-17-10/h1,6-7H,2-5,15H2
InChIKeyTZNXMPLSLXHUAE-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.63
Rot. Bonds2

About [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine

[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 114489477) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
PubChem CID114489477
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)8-1-3-18(4-2-8)10-7-16-9(5-15)6-17-10/h1,6-7H,2-5,15H2
InChIKeyTZNXMPLSLXHUAE-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine 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 [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine (CID 114489477) is [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine is NCc1cnc(N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is TZNXMPLSLXHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)8-1-3-18(4-2-8)10-7-16-9(5-15)6-17-10/h1,6-7H,2-5,15H2.
What are the key properties of [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine?
[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 258.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 114489477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).