N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

C12H13F3N4 — CID 117167604

IUPACN-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNC(C)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H13F3N4/c1-8(16-2)11-7-19(18-17-11)10-5-3-4-9(6-10)12(13,14)15/h3-8,16H,1-2H3
InChIKeyHNWFUWZRLAKONL-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (PubChem CID 117167604) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
PubChem CID117167604
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNC(C)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H13F3N4/c1-8(16-2)11-7-19(18-17-11)10-5-3-4-9(6-10)12(13,14)15/h3-8,16H,1-2H3
InChIKeyHNWFUWZRLAKONL-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167721
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]triazole
CID 172644557
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
CID 103085277
4-methyl-4-[[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]pentanoic acid
CID 119357117
1-[4-bromo-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-methylmethanamine
CID 116818647
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (CID 117167604) is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is CNC(C)c1cn(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The InChIKey is HNWFUWZRLAKONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-8(16-2)11-7-19(18-17-11)10-5-3-4-9(6-10)12(13,14)15/h3-8,16H,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 117167604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).