N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C13H13F3N4 — CID 105150068

IUPACN-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)c1cnccn1
InChIInChI=1S/C13H13F3N4/c1-2-18-12(11-8-17-5-6-19-11)10-4-3-9(7-20-10)13(14,15)16/h3-8,12,18H,2H2,1H3
InChIKeyJCFZIRORZMTIKL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.59
Rot. Bonds4

About N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 105150068) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID105150068
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)c1cnccn1
InChIInChI=1S/C13H13F3N4/c1-2-18-12(11-8-17-5-6-19-11)10-4-3-9(7-20-10)13(14,15)16/h3-8,12,18H,2H2,1H3
InChIKeyJCFZIRORZMTIKL-UHFFFAOYSA-N
XLogP2.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105157245
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
[pyridin-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105287046
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(1-methylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 103134582
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000

Frequently Asked Questions

What is the IUPAC name of N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 105150068) is N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cn1)c1cnccn1.
What is the InChIKey of N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is JCFZIRORZMTIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-18-12(11-8-17-5-6-19-11)10-4-3-9(7-20-10)13(14,15)16/h3-8,12,18H,2H2,1H3.
What are the key properties of N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 282.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105150068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).