N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine

C12H18F3N3 — CID 123481258

IUPACN-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESCCC(C)(CC)CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-4-11(3,5-2)8-18-10-7-16-9(6-17-10)12(13,14)15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPLJXXLBPGCCCKX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.73
Rot. Bonds5

About N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine

N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 123481258) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID123481258
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine
SMILESCCC(C)(CC)CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-4-11(3,5-2)8-18-10-7-16-9(6-17-10)12(13,14)15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPLJXXLBPGCCCKX-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248917
3,6-Diethyl-N-(3-pentanyl)-2-pyrazinamine
CID 22278756
3-ethyl-N-pentan-3-ylpyrazin-2-amine
CID 23068427
6-Methyl-N-(pentan-3-yl)pyrazin-2-amine
CID 45099732
6-methyl-N-propan-2-ylpyrazin-2-amine
CID 89879689
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
N-methyl-5-(trifluoromethyl)pyrazin-2-amine
CID 57930543
2-[(3S,4R)-3-ethyl-4-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 68350268
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine (CID 123481258) is N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine is CCC(C)(CC)CNc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is PLJXXLBPGCCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-11(3,5-2)8-18-10-7-16-9(6-17-10)12(13,14)15/h6-7H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine?
N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 123481258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).