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

C6H9F3N4 — CID 62950745

IUPAC2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2,(H,11,12,13)
InChIKeyYCGTWBMOVICIHH-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.41
Rot. Bonds3

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

2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 62950745) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID62950745
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2,(H,11,12,13)
InChIKeyYCGTWBMOVICIHH-UHFFFAOYSA-N
XLogP0.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 62950745) is 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine is NCCc1n[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is YCGTWBMOVICIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2,(H,11,12,13).
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 62950745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).