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

C10H17F3N4O — CID 66192468

IUPAC2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C10H17F3N4O/c1-9(2,3)14-6-8-7-17(16-15-8)4-5-18-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyUSBDZQHZGJIYDC-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.70
Rot. Bonds5

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

2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66192468) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66192468
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C10H17F3N4O/c1-9(2,3)14-6-8-7-17(16-15-8)4-5-18-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyUSBDZQHZGJIYDC-UHFFFAOYSA-N
XLogP1.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 66192468) is 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CCOC(F)(F)F)nn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is USBDZQHZGJIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-9(2,3)14-6-8-7-17(16-15-8)4-5-18-10(11,12)13/h7,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 266.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66192468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).