4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine

C12H18F3N3 — CID 105156337

IUPAC4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnc(C)cn1
InChIInChI=1S/C12H18F3N3/c1-3-6-16-10(4-5-12(13,14)15)11-8-17-9(2)7-18-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyXPEPLXFWWBJMIN-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.17
Rot. Bonds6

About 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine (PubChem CID 105156337) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
PubChem CID105156337
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnc(C)cn1
InChIInChI=1S/C12H18F3N3/c1-3-6-16-10(4-5-12(13,14)15)11-8-17-9(2)7-18-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyXPEPLXFWWBJMIN-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 105113048
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105089075
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 64566396
1-(5-methylpyrazin-2-yl)butylhydrazine
CID 105282280
N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine (CID 105156337) is 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cnc(C)cn1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine?
The InChIKey is XPEPLXFWWBJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-6-16-10(4-5-12(13,14)15)11-8-17-9(2)7-18-11/h7-8,10,16H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105156337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).