5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine

C8H15FN4 — CID 80697039

IUPAC5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCF
InChIInChI=1S/C8H15FN4/c1-8(2,3)6-7(10)11-12-13(6)5-4-9/h4-5,10H2,1-3H3
InChIKeyVTEXUBBNCJZJCC-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.13
Rot. Bonds2

About 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine

5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine (PubChem CID 80697039) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine
PubChem CID80697039
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCF
InChIInChI=1S/C8H15FN4/c1-8(2,3)6-7(10)11-12-13(6)5-4-9/h4-5,10H2,1-3H3
InChIKeyVTEXUBBNCJZJCC-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine (CID 80697039) is 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1CCF.
What is the InChIKey of 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine?
The InChIKey is VTEXUBBNCJZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-8(2,3)6-7(10)11-12-13(6)5-4-9/h4-5,10H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine?
5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine has a molecular weight of 186.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-fluoroethyl)triazol-4-amine is sourced from PubChem (CID 80697039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).