4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine

C11H16F3N3 — CID 64567832

IUPAC4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C11H16F3N3/c1-2-5-16-9(3-4-11(12,13)14)10-8-15-6-7-17-10/h6-9,16H,2-5H2,1H3
InChIKeyZLIRKQRDMPJRNY-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.86
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine

4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 64567832) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID64567832
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C11H16F3N3/c1-2-5-16-9(3-4-11(12,13)14)10-8-15-6-7-17-10/h6-9,16H,2-5H2,1H3
InChIKeyZLIRKQRDMPJRNY-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517440
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine (CID 64567832) is 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cnccn1.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is ZLIRKQRDMPJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-5-16-9(3-4-11(12,13)14)10-8-15-6-7-17-10/h6-9,16H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine?
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.86, 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-N-propyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 64567832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).