4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole

C17H14F3N3 — CID 71132056

IUPAC4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14F3N3/c1-2-15-16(12-6-4-3-5-7-12)22-23(21-15)14-10-8-13(9-11-14)17(18,19)20/h3-11H,2H2,1H3
InChIKeyPPOAOLDDMGXYJY-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.52
Rot. Bonds3

About 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole

4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole (PubChem CID 71132056) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole
PubChem CID71132056
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14F3N3/c1-2-15-16(12-6-4-3-5-7-12)22-23(21-15)14-10-8-13(9-11-14)17(18,19)20/h3-11H,2H2,1H3
InChIKeyPPOAOLDDMGXYJY-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole (CID 71132056) is 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole is CCc1nn(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole?
The InChIKey is PPOAOLDDMGXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-2-15-16(12-6-4-3-5-7-12)22-23(21-15)14-10-8-13(9-11-14)17(18,19)20/h3-11H,2H2,1H3.
What are the key properties of 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole?
4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole has a molecular weight of 317.31 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 71132056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).