N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline

C11H11F3N4O — CID 62757923

IUPACN-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCn1cc(CNc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O/c1-18-7-8(16-17-18)6-15-9-4-2-3-5-10(9)19-11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyLGZYPNIGTZOCQL-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.33
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline

N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 62757923) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID62757923
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCn1cc(CNc2ccccc2OC(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O/c1-18-7-8(16-17-18)6-15-9-4-2-3-5-10(9)19-11(12,13)14/h2-5,7,15H,6H2,1H3
InChIKeyLGZYPNIGTZOCQL-UHFFFAOYSA-N
XLogP2.33
TPSA51.97 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-(1-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 107054054
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 103865833
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
N-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 28513031
4-[[2-(trifluoromethoxy)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103233530

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline (CID 62757923) is N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline is Cn1cc(CNc2ccccc2OC(F)(F)F)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is LGZYPNIGTZOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-18-7-8(16-17-18)6-15-9-4-2-3-5-10(9)19-11(12,13)14/h2-5,7,15H,6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline?
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 272.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 62757923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).