1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole

C16H12F3N3 — CID 139033793

IUPAC1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3/c1-11-7-9-13(10-8-11)22-15(16(17,18)19)20-14(21-22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCCLOVSMXFVGYBT-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.26
Rot. Bonds2

About 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole

1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 139033793) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID139033793
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3/c1-11-7-9-13(10-8-11)22-15(16(17,18)19)20-14(21-22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyCCLOVSMXFVGYBT-UHFFFAOYSA-N
XLogP4.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
1H-Tetrazole, 1,5-diphenyl-
CID 139033
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CID 821736
5-phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3-carboxylic acid
CID 2393120
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
4-[1-(4-aminophenyl)-1H-tetraazol-5-yl]phenylamine
CID 852671
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455298

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole (CID 139033793) is 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole is Cc1ccc(-n2nc(-c3ccccc3)nc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is CCLOVSMXFVGYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-11-7-9-13(10-8-11)22-15(16(17,18)19)20-14(21-22)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 303.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 139033793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).