2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine

C11H11F3N4 — CID 105043304

IUPAC2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(c1cnnn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3N4/c1-15-10(11(12,13)14)9-7-16-17-18(9)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeyMITGEIUETDALGY-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.09
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine

2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 105043304) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID105043304
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(c1cnnn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3N4/c1-15-10(11(12,13)14)9-7-16-17-18(9)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeyMITGEIUETDALGY-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
CID 105274950
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 114686558

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine (CID 105043304) is 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine is CNC(c1cnnn1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is MITGEIUETDALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-15-10(11(12,13)14)9-7-16-17-18(9)8-5-3-2-4-6-8/h2-7,10,15H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine?
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 256.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105043304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).