2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine

C9H16F3N5 — CID 62427450

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
SMILESCNCc1cn(CCN(C)CC(F)(F)F)nn1
InChIInChI=1S/C9H16F3N5/c1-13-5-8-6-17(15-14-8)4-3-16(2)7-9(10,11)12/h6,13H,3-5,7H2,1-2H3
InChIKeyUXBFJMOYGNPQPJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.49
Rot. Bonds6

About 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine (PubChem CID 62427450) has the molecular formula C9H16F3N5 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
PubChem CID62427450
Molecular FormulaC9H16F3N5
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
SMILESCNCc1cn(CCN(C)CC(F)(F)F)nn1
InChIInChI=1S/C9H16F3N5/c1-13-5-8-6-17(15-14-8)4-3-16(2)7-9(10,11)12/h6,13H,3-5,7H2,1-2H3
InChIKeyUXBFJMOYGNPQPJ-UHFFFAOYSA-N
XLogP0.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine (CID 62427450) is 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine is CNCc1cn(CCN(C)CC(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The InChIKey is UXBFJMOYGNPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5/c1-13-5-8-6-17(15-14-8)4-3-16(2)7-9(10,11)12/h6,13H,3-5,7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine has a molecular weight of 251.26 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62427450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).