5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine

C7H11F3N4O — CID 79543014

IUPAC5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCCc1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-2-5-6(11)12-13-14(5)3-4-15-7(8,9)10/h2-4,11H2,1H3
InChIKeyHPBKKXANVDJPKY-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.96
Rot. Bonds4

About 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine

5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (PubChem CID 79543014) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
PubChem CID79543014
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCCc1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C7H11F3N4O/c1-2-5-6(11)12-13-14(5)3-4-15-7(8,9)10/h2-4,11H2,1H3
InChIKeyHPBKKXANVDJPKY-UHFFFAOYSA-N
XLogP0.96
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (CID 79543014) is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is CCc1c(N)nnn1CCOC(F)(F)F.
What is the InChIKey of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The InChIKey is HPBKKXANVDJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c1-2-5-6(11)12-13-14(5)3-4-15-7(8,9)10/h2-4,11H2,1H3.
What are the key properties of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine has a molecular weight of 224.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79543014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).