4-ethyl-5-(trifluoromethyl)-2H-triazole

C5H6F3N3 — CID 69382022

IUPAC4-ethyl-5-(trifluoromethyl)-2H-triazole
SMILESCCc1n[nH]nc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-3-4(5(6,7)8)10-11-9-3/h2H2,1H3,(H,9,10,11)
InChIKeyGIHRCZSTEMGYEI-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.39
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)-2H-triazole

4-ethyl-5-(trifluoromethyl)-2H-triazole (PubChem CID 69382022) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)-2H-triazole.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)-2H-triazole
PubChem CID69382022
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name4-ethyl-5-(trifluoromethyl)-2H-triazole
SMILESCCc1n[nH]nc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-3-4(5(6,7)8)10-11-9-3/h2H2,1H3,(H,9,10,11)
InChIKeyGIHRCZSTEMGYEI-UHFFFAOYSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)-2H-triazole?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)-2H-triazole (CID 69382022) is 4-ethyl-5-(trifluoromethyl)-2H-triazole.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)-2H-triazole?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)-2H-triazole is CCc1n[nH]nc1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)-2H-triazole?
The InChIKey is GIHRCZSTEMGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-2-3-4(5(6,7)8)10-11-9-3/h2H2,1H3,(H,9,10,11).
What are the key properties of 4-ethyl-5-(trifluoromethyl)-2H-triazole?
4-ethyl-5-(trifluoromethyl)-2H-triazole has a molecular weight of 165.12 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)-2H-triazole is sourced from PubChem (CID 69382022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).