3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole

C15H11F2N3 — CID 58240274

IUPAC3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2ccc(F)cc2F)n1-c1ccccc1
InChIInChI=1S/C15H11F2N3/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyNYFISIFBGUIQSJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.52
Rot. Bonds2

About 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole

3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole (PubChem CID 58240274) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole
PubChem CID58240274
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2ccc(F)cc2F)n1-c1ccccc1
InChIInChI=1S/C15H11F2N3/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyNYFISIFBGUIQSJ-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)aniline
CID 61361374
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
4-chloro-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)aniline
CID 61361168
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
3-[(2,4-difluorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 7207040
N-[1-(2,4-difluorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784157
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
CID 50993662
3-[(2,5-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
CID 7206691
2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
CID 61360966
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203508
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole (CID 58240274) is 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole is Cc1nnc(-c2ccc(F)cc2F)n1-c1ccccc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole?
The InChIKey is NYFISIFBGUIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole?
3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole has a molecular weight of 271.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-methyl-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 58240274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).