3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C11H9ClF3N3 — CID 63384058

IUPAC3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3N3/c1-2-9-16-17-10(12)18(9)8-5-3-4-7(6-8)11(13,14)15/h3-6H,2H2,1H3
InChIKeyYOHILANCHAYQJX-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.50
Rot. Bonds2

About 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 63384058) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID63384058
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3N3/c1-2-9-16-17-10(12)18(9)8-5-3-4-7(6-8)11(13,14)15/h3-6H,2H2,1H3
InChIKeyYOHILANCHAYQJX-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 63384058) is 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is CCc1nnc(Cl)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is YOHILANCHAYQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-2-9-16-17-10(12)18(9)8-5-3-4-7(6-8)11(13,14)15/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 275.66 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 63384058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).