(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine

C11H11F3N4 — CID 94902136

IUPAC(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H11F3N4/c1-6(15)9-16-10(18-17-9)7-3-2-4-8(5-7)11(12,13)14/h2-6H,15H2,1H3,(H,16,17,18)/t6-/m1/s1
InChIKeyUJJQZDFRSDIZNT-ZCFIWIBFSA-N
MW256.23 g/mol
LogP2.51
Rot. Bonds2

About (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine

(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 94902136) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID94902136
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H11F3N4/c1-6(15)9-16-10(18-17-9)7-3-2-4-8(5-7)11(12,13)14/h2-6H,15H2,1H3,(H,16,17,18)/t6-/m1/s1
InChIKeyUJJQZDFRSDIZNT-ZCFIWIBFSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 54772723
3-[5-[(1R)-1-amino-2-methylpropyl]-1H-1,2,4-triazol-3-yl]phenol
CID 97288479
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
(Z)-N'-cyclopropyl-3-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]prop-2-enimidamide
CID 162550270
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62192267
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
N-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347563
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
2-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 84698395
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine (CID 94902136) is (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine is C[C@@H](N)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is UJJQZDFRSDIZNT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-6(15)9-16-10(18-17-9)7-3-2-4-8(5-7)11(12,13)14/h2-6H,15H2,1H3,(H,16,17,18)/t6-/m1/s1.
What are the key properties of (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine?
(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 256.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 94902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).