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

C7H11F3N4O — CID 66192704

IUPACN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4O/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyRJODLZHKHFLZRW-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.53
Rot. Bonds5

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

N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 66192704) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
PubChem CID66192704
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4O/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyRJODLZHKHFLZRW-UHFFFAOYSA-N
XLogP0.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
2-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]acetic acid
CID 107461395
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
5-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]pentanoic acid
CID 104538693
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine (CID 66192704) is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCOC(F)(F)F)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is RJODLZHKHFLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 224.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 66192704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).