2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine

C7H8F3N3 — CID 60997645

IUPAC2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cnccn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-12-4-6-3-11-1-2-13-6/h1-3,12H,4-5H2
InChIKeyNCRPMLVACFWQHQ-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.13
Rot. Bonds3

About 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine

2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 60997645) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID60997645
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cnccn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-12-4-6-3-11-1-2-13-6/h1-3,12H,4-5H2
InChIKeyNCRPMLVACFWQHQ-UHFFFAOYSA-N
XLogP1.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Pyrazin-2-yl)methanamine
CID 266781
Methyl[1-(pyrazin-2-yl)ethyl]amine
CID 60818558
2-(Trifluoromethyl)pyrazine
CID 17888936
2-(Aminomethyl)-5-methylpyrazine
CID 2756496
n-(Pyrazin-2-ylmethyl)formamide
CID 292282
Pyrazin-2-ylmethanamine hydrochloride
CID 21265794
N-methyl-1-(pyrazin-2-yl)methanamine
CID 16762521
2-((Piperazin-1-yl)methyl)pyrazine
CID 43439447
2-Methyl-5-(trifluoromethyl)pyrazine
CID 45790699
6-Methyl-2-pyrazinemethanamine
CID 66661136
(5-Methylpyrazin-2-yl)methanamine dihydrochloride
CID 121397354
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 464165

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine (CID 60997645) is 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine is FC(F)(F)CNCc1cnccn1.
What is the InChIKey of 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is NCRPMLVACFWQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)5-12-4-6-3-11-1-2-13-6/h1-3,12H,4-5H2.
What are the key properties of 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 191.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 60997645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).