5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine

C8H13F3N4 — CID 115517484

IUPAC5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C8H13F3N4/c1-12-6(7-5-13-15-14-7)3-2-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyJFQVLEYIIYHWIQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.80
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine (PubChem CID 115517484) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine
PubChem CID115517484
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C8H13F3N4/c1-12-6(7-5-13-15-14-7)3-2-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyJFQVLEYIIYHWIQ-UHFFFAOYSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475565
5,5,5-trifluoro-N-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105174275
5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 115516928
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
CID 105254737
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 106692847
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine (CID 115517484) is 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1cn[nH]n1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine?
The InChIKey is JFQVLEYIIYHWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-12-6(7-5-13-15-14-7)3-2-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine has a molecular weight of 222.21 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine is sourced from PubChem (CID 115517484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).