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

C11H11F3N4O — CID 122241298

IUPAC[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)19-10-4-2-1-3-8(10)6-18-7-9(5-15)16-17-18/h1-4,7H,5-6,15H2
InChIKeyPRQFMFYPLIGJCL-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.68
Rot. Bonds4

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

[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine (PubChem CID 122241298) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine
PubChem CID122241298
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)19-10-4-2-1-3-8(10)6-18-7-9(5-15)16-17-18/h1-4,7H,5-6,15H2
InChIKeyPRQFMFYPLIGJCL-UHFFFAOYSA-N
XLogP1.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanamine
CID 30957595
2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
CID 116642290
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
[4-methyl-5-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154905308
CID 142546618
CID 142546618
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115311651
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine (CID 122241298) is [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine is NCc1cn(Cc2ccccc2OC(F)(F)F)nn1.
What is the InChIKey of [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine?
The InChIKey is PRQFMFYPLIGJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)19-10-4-2-1-3-8(10)6-18-7-9(5-15)16-17-18/h1-4,7H,5-6,15H2.
What are the key properties of [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine?
[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine has a molecular weight of 272.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 122241298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).