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

C8H13F3N4O — CID 79542932

IUPAC5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C8H13F3N4O/c1-5(2)6-7(12)13-14-15(6)3-4-16-8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeySFMAJRSEIHPBPA-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.52
Rot. Bonds4

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

5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (PubChem CID 79542932) has the molecular formula C8H13F3N4O and a molecular weight of 238.21 g/mol. Its IUPAC name is 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
PubChem CID79542932
Molecular FormulaC8H13F3N4O
Molecular Weight238.21 g/mol
Exact Mass238.10
IUPAC Name5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C8H13F3N4O/c1-5(2)6-7(12)13-14-15(6)3-4-16-8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeySFMAJRSEIHPBPA-UHFFFAOYSA-N
XLogP1.52
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (CID 79542932) is 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is CC(C)c1c(N)nnn1CCOC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The InChIKey is SFMAJRSEIHPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O/c1-5(2)6-7(12)13-14-15(6)3-4-16-8(9,10)11/h5H,3-4,12H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine has a molecular weight of 238.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79542932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).