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

C15H12FN3 — CID 50993662

IUPAC4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C15H12FN3/c1-11-17-18-15(12-7-3-2-4-8-12)19(11)14-10-6-5-9-13(14)16/h2-10H,1H3
InChIKeyPGPLCNBMEWQXST-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.38
Rot. Bonds2

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

4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole (PubChem CID 50993662) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
PubChem CID50993662
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C15H12FN3/c1-11-17-18-15(12-7-3-2-4-8-12)19(11)14-10-6-5-9-13(14)16/h2-10H,1H3
InChIKeyPGPLCNBMEWQXST-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.38
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
8-ethynyl-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 14851900
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
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
6-(p-Fluorophenyl)-3-methyl-1,2,4-triazolo[4,3-b]pyridazine
CID 12726821

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The IUPAC name of 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole (CID 50993662) is 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole is Cc1nnc(-c2ccccc2)n1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The InChIKey is PGPLCNBMEWQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-11-17-18-15(12-7-3-2-4-8-12)19(11)14-10-6-5-9-13(14)16/h2-10H,1H3.
What are the key properties of 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole?
4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole has a molecular weight of 253.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 50993662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).