[1-(2-fluoroethyl)triazol-4-yl]methanamine

C5H9FN4 — CID 80694161

IUPAC[1-(2-fluoroethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CCF)nn1
InChIInChI=1S/C5H9FN4/c6-1-2-10-4-5(3-7)8-9-10/h4H,1-3,7H2
InChIKeyGUDIJAWRYZDEIR-UHFFFAOYSA-N
MW144.15 g/mol
LogP-0.29
Rot. Bonds3

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

[1-(2-fluoroethyl)triazol-4-yl]methanamine (PubChem CID 80694161) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is [1-(2-fluoroethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethyl)triazol-4-yl]methanamine
PubChem CID80694161
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name[1-(2-fluoroethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CCF)nn1
InChIInChI=1S/C5H9FN4/c6-1-2-10-4-5(3-7)8-9-10/h4H,1-3,7H2
InChIKeyGUDIJAWRYZDEIR-UHFFFAOYSA-N
XLogP-0.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2-fluoroethyl)triazol-4-yl]methanamine (CID 80694161) is [1-(2-fluoroethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-fluoroethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2-fluoroethyl)triazol-4-yl]methanamine is NCc1cn(CCF)nn1.
What is the InChIKey of [1-(2-fluoroethyl)triazol-4-yl]methanamine?
The InChIKey is GUDIJAWRYZDEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c6-1-2-10-4-5(3-7)8-9-10/h4H,1-3,7H2.
What are the key properties of [1-(2-fluoroethyl)triazol-4-yl]methanamine?
[1-(2-fluoroethyl)triazol-4-yl]methanamine has a molecular weight of 144.15 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 80694161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).