1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine

C6H11FN4 — CID 84650760

IUPAC1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1CCF
InChIInChI=1S/C6H11FN4/c1-5(8)6-4-9-10-11(6)3-2-7/h4-5H,2-3,8H2,1H3
InChIKeyUTRKLGLZEHVNSA-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.27
Rot. Bonds3

About 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine

1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine (PubChem CID 84650760) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine
PubChem CID84650760
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1CCF
InChIInChI=1S/C6H11FN4/c1-5(8)6-4-9-10-11(6)3-2-7/h4-5H,2-3,8H2,1H3
InChIKeyUTRKLGLZEHVNSA-UHFFFAOYSA-N
XLogP0.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 59155120
2-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]propan-2-amine
CID 64003978
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
(1S)-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-amine
CID 122163653
2-(1-methyl-1H-1,2,3-triazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 126985096
(1R)-1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-amine hydrochloride
CID 154577405

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine (CID 84650760) is 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine is CC(N)c1cnnn1CCF.
What is the InChIKey of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine?
The InChIKey is UTRKLGLZEHVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-5(8)6-4-9-10-11(6)3-2-7/h4-5H,2-3,8H2,1H3.
What are the key properties of 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine?
1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine has a molecular weight of 158.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 84650760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).