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

C11H10ClF3N4 — CID 62757373

IUPAC4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cc(CNc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C11H10ClF3N4/c1-19-6-8(17-18-19)5-16-10-3-2-7(12)4-9(10)11(13,14)15/h2-4,6,16H,5H2,1H3
InChIKeyLODLKRATBADBDG-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.10
Rot. Bonds3

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

4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 62757373) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID62757373
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cc(CNc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C11H10ClF3N4/c1-19-6-8(17-18-19)5-16-10-3-2-7(12)4-9(10)11(13,14)15/h2-4,6,16H,5H2,1H3
InChIKeyLODLKRATBADBDG-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline (CID 62757373) is 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline is Cn1cc(CNc2ccc(Cl)cc2C(F)(F)F)nn1.
What is the InChIKey of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is LODLKRATBADBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-19-6-8(17-18-19)5-16-10-3-2-7(12)4-9(10)11(13,14)15/h2-4,6,16H,5H2,1H3.
What are the key properties of 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 290.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62757373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).