N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H17F3N4O — CID 103216254

IUPACN-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(COCC(F)(F)F)NC
InChIInChI=1S/C10H17F3N4O/c1-3-4-17-9(5-15-16-17)8(14-2)6-18-7-10(11,12)13/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyWOVQRZASUXSNTC-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.53
Rot. Bonds7

About N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216254) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216254
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC NameN-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(COCC(F)(F)F)NC
InChIInChI=1S/C10H17F3N4O/c1-3-4-17-9(5-15-16-17)8(14-2)6-18-7-10(11,12)13/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyWOVQRZASUXSNTC-UHFFFAOYSA-N
XLogP1.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216254) is N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCn1nncc1C(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WOVQRZASUXSNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-3-4-17-9(5-15-16-17)8(14-2)6-18-7-10(11,12)13/h5,8,14H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 266.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).