1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine

C6H9F3N4 — CID 62952062

IUPAC1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-3(10)5-11-4(12-13-5)2-6(7,8)9/h3H,2,10H2,1H3,(H,11,12,13)
InChIKeyRVJJSAAESPJRGP-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.93
Rot. Bonds2

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

1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 62952062) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID62952062
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-3(10)5-11-4(12-13-5)2-6(7,8)9/h3H,2,10H2,1H3,(H,11,12,13)
InChIKeyRVJJSAAESPJRGP-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 62952062) is 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine is CC(N)c1n[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is RVJJSAAESPJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-3(10)5-11-4(12-13-5)2-6(7,8)9/h3H,2,10H2,1H3,(H,11,12,13).
What are the key properties of 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 62952062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).