N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine

C13H15F3N4 — CID 117167498

IUPACN-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H15F3N4/c1-9(17-2)7-10-8-20(19-18-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyMJSRUVZAENFIEE-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine

N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine (PubChem CID 117167498) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
PubChem CID117167498
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H15F3N4/c1-9(17-2)7-10-8-20(19-18-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyMJSRUVZAENFIEE-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine 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 N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine (CID 117167498) is N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine is CNC(C)Cc1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine?
The InChIKey is MJSRUVZAENFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-9(17-2)7-10-8-20(19-18-10)12-6-4-3-5-11(12)13(14,15)16/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine?
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine has a molecular weight of 284.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 117167498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).