2-[4-(trifluoromethyl)triazol-1-yl]ethanamine

C5H7F3N4 — CID 55295499

IUPAC2-[4-(trifluoromethyl)triazol-1-yl]ethanamine
SMILESNCCn1cc(C(F)(F)F)nn1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)4-3-12(2-1-9)11-10-4/h3H,1-2,9H2
InChIKeyCSISGKNXOUJXFZ-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.26
Rot. Bonds2

About 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine

2-[4-(trifluoromethyl)triazol-1-yl]ethanamine (PubChem CID 55295499) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)triazol-1-yl]ethanamine
PubChem CID55295499
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name2-[4-(trifluoromethyl)triazol-1-yl]ethanamine
SMILESNCCn1cc(C(F)(F)F)nn1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)4-3-12(2-1-9)11-10-4/h3H,1-2,9H2
InChIKeyCSISGKNXOUJXFZ-UHFFFAOYSA-N
XLogP0.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine (CID 55295499) is 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine is NCCn1cc(C(F)(F)F)nn1.
What is the InChIKey of 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine?
The InChIKey is CSISGKNXOUJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c6-5(7,8)4-3-12(2-1-9)11-10-4/h3H,1-2,9H2.
What are the key properties of 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine?
2-[4-(trifluoromethyl)triazol-1-yl]ethanamine has a molecular weight of 180.13 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)triazol-1-yl]ethanamine is sourced from PubChem (CID 55295499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).