1,4-diethyl-5-(trifluoromethyl)triazole

C7H10F3N3 — CID 69381899

IUPAC1,4-diethyl-5-(trifluoromethyl)triazole
SMILESCCc1nnn(CC)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3-5-6(7(8,9)10)13(4-2)12-11-5/h3-4H2,1-2H3
InChIKeyYZILOASQTKNBSY-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.88
Rot. Bonds2

About 1,4-diethyl-5-(trifluoromethyl)triazole

1,4-diethyl-5-(trifluoromethyl)triazole (PubChem CID 69381899) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1,4-diethyl-5-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1,4-diethyl-5-(trifluoromethyl)triazole
PubChem CID69381899
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1,4-diethyl-5-(trifluoromethyl)triazole
SMILESCCc1nnn(CC)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3-5-6(7(8,9)10)13(4-2)12-11-5/h3-4H2,1-2H3
InChIKeyYZILOASQTKNBSY-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-5-(trifluoromethyl)triazole?
The IUPAC name of 1,4-diethyl-5-(trifluoromethyl)triazole (CID 69381899) is 1,4-diethyl-5-(trifluoromethyl)triazole.
What is the SMILES notation for 1,4-diethyl-5-(trifluoromethyl)triazole?
The canonical SMILES for 1,4-diethyl-5-(trifluoromethyl)triazole is CCc1nnn(CC)c1C(F)(F)F.
What is the InChIKey of 1,4-diethyl-5-(trifluoromethyl)triazole?
The InChIKey is YZILOASQTKNBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3-5-6(7(8,9)10)13(4-2)12-11-5/h3-4H2,1-2H3.
What are the key properties of 1,4-diethyl-5-(trifluoromethyl)triazole?
1,4-diethyl-5-(trifluoromethyl)triazole has a molecular weight of 193.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-5-(trifluoromethyl)triazole is sourced from PubChem (CID 69381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).