N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine

C13H17F3N4 — CID 114490584

IUPACN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H17F3N4/c1-2-17-7-11-8-18-9-12(19-11)20-5-3-10(4-6-20)13(14,15)16/h3,8-9,17H,2,4-7H2,1H3
InChIKeyFCDPLUMTSAISJH-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.28
Rot. Bonds4

About N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine

N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine (PubChem CID 114490584) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
PubChem CID114490584
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H17F3N4/c1-2-17-7-11-8-18-9-12(19-11)20-5-3-10(4-6-20)13(14,15)16/h3,8-9,17H,2,4-7H2,1H3
InChIKeyFCDPLUMTSAISJH-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine (CID 114490584) is N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(N2CC=C(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is FCDPLUMTSAISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-2-17-7-11-8-18-9-12(19-11)20-5-3-10(4-6-20)13(14,15)16/h3,8-9,17H,2,4-7H2,1H3.
What are the key properties of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine?
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 286.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 114490584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).