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

C13H15F3N4 — CID 65360501

IUPACN-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1ncn[nH]1
InChIInChI=1S/C13H15F3N4/c1-2-17-11(12-18-8-19-20-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11,17H,2,7H2,1H3,(H,18,19,20)
InChIKeyAYAGHAKAHNCEAZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.72
Rot. Bonds5

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

N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65360501) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID65360501
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)c1ncn[nH]1
InChIInChI=1S/C13H15F3N4/c1-2-17-11(12-18-8-19-20-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11,17H,2,7H2,1H3,(H,18,19,20)
InChIKeyAYAGHAKAHNCEAZ-UHFFFAOYSA-N
XLogP2.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
N-[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 65360362
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 65360501) is N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1cccc(C(F)(F)F)c1)c1ncn[nH]1.
What is the InChIKey of N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AYAGHAKAHNCEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-17-11(12-18-8-19-20-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11,17H,2,7H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 284.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65360501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).