[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C16H14FN3O — CID 115395836

IUPAC[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2-c2ccccc2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-7-8-12(9-14(11)17)16-19-18-15(10-21)20(16)13-5-3-2-4-6-13/h2-9,21H,10H2,1H3
InChIKeyZJDVULDJVQYTQD-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.87
Rot. Bonds3

About [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395836) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395836
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2-c2ccccc2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-7-8-12(9-14(11)17)16-19-18-15(10-21)20(16)13-5-3-2-4-6-13/h2-9,21H,10H2,1H3
InChIKeyZJDVULDJVQYTQD-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943885
3-(chloromethyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 83968302
3-(bromomethyl)-5-(3,4-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115398710
3-(3-bromo-5-fluorophenyl)-5-(bromomethyl)-4-phenyl-1,2,4-triazole
CID 115398787
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
3-(chloromethyl)-4-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazole
CID 113301980
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395836) is [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is Cc1ccc(-c2nnc(CO)n2-c2ccccc2)cc1F.
What is the InChIKey of [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZJDVULDJVQYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-7-8-12(9-14(11)17)16-19-18-15(10-21)20(16)13-5-3-2-4-6-13/h2-9,21H,10H2,1H3.
What are the key properties of [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 283.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).