N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline

C12H10F3N3 — CID 55110167

IUPACN-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnccn1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-3-1-2-4-11(10)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2
InChIKeyLMFMYYMMMXNBRE-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.11
Rot. Bonds3

About N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline

N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 55110167) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID55110167
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnccn1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-3-1-2-4-11(10)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2
InChIKeyLMFMYYMMMXNBRE-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1,2,2,2-pentafluoroethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 167903059
[2-(pyrazin-2-ylmethylamino)phenyl]methanol
CID 62762007
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893358
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 70795723
N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 155823149

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 55110167) is N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1cnccn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is LMFMYYMMMXNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)10-3-1-2-4-11(10)18-8-9-7-16-5-6-17-9/h1-7,18H,8H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline?
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 253.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55110167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).