4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

C19H18F3N3O — CID 11537793

IUPAC4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCOc1ccccc1-c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C19H18F3N3O/c1-3-12-26-16-11-7-5-9-14(16)18-24-23-17(25(18)2)13-8-4-6-10-15(13)19(20,21)22/h4-11H,3,12H2,1-2H3
InChIKeyLMTFDNQVQILQJZ-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.96
Rot. Bonds5

About 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 11537793) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID11537793
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCOc1ccccc1-c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C19H18F3N3O/c1-3-12-26-16-11-7-5-9-14(16)18-24-23-17(25(18)2)13-8-4-6-10-15(13)19(20,21)22/h4-11H,3,12H2,1-2H3
InChIKeyLMTFDNQVQILQJZ-UHFFFAOYSA-N
XLogP4.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 11537793) is 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is CCCOc1ccccc1-c1nnc(-c2ccccc2C(F)(F)F)n1C.
What is the InChIKey of 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is LMTFDNQVQILQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-3-12-26-16-11-7-5-9-14(16)18-24-23-17(25(18)2)13-8-4-6-10-15(13)19(20,21)22/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 361.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-propoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 11537793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).