5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine

C10H17F3N4O — CID 79547835

IUPAC5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-9(2,3)7-8(14)15-16-17(7)4-5-18-6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyLNACSBGJHQGZNA-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.74
Rot. Bonds4

About 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine

5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine (PubChem CID 79547835) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
PubChem CID79547835
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-9(2,3)7-8(14)15-16-17(7)4-5-18-6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyLNACSBGJHQGZNA-UHFFFAOYSA-N
XLogP1.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine (CID 79547835) is 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine is CC(C)(C)c1c(N)nnn1CCOCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The InChIKey is LNACSBGJHQGZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-9(2,3)7-8(14)15-16-17(7)4-5-18-6-10(11,12)13/h4-6,14H2,1-3H3.
What are the key properties of 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine has a molecular weight of 266.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79547835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).