5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

C18H15ClF3N3 — CID 21283777

IUPAC5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1Cl
InChIInChI=1S/C18H15ClF3N3/c1-2-11-25-17(13-8-4-6-10-15(13)19)23-16(24-25)12-7-3-5-9-14(12)18(20,21)22/h3-10H,2,11H2,1H3
InChIKeyHZWYLKSIUZHSGY-UHFFFAOYSA-N
MW365.79 g/mol
LogP5.69
Rot. Bonds4

About 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 21283777) has the molecular formula C18H15ClF3N3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID21283777
Molecular FormulaC18H15ClF3N3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1Cl
InChIInChI=1S/C18H15ClF3N3/c1-2-11-25-17(13-8-4-6-10-15(13)19)23-16(24-25)12-7-3-5-9-14(12)18(20,21)22/h3-10H,2,11H2,1H3
InChIKeyHZWYLKSIUZHSGY-UHFFFAOYSA-N
XLogP5.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 21283777) is 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is CCCn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is HZWYLKSIUZHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3/c1-2-11-25-17(13-8-4-6-10-15(13)19)23-16(24-25)12-7-3-5-9-14(12)18(20,21)22/h3-10H,2,11H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 365.79 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 21283777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).