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

C11H12FN3O — CID 115397022

IUPAC[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1cccc(-c2nnc(CO)n2C)c1F
InChIInChI=1S/C11H12FN3O/c1-7-4-3-5-8(10(7)12)11-14-13-9(6-16)15(11)2/h3-5,16H,6H2,1-2H3
InChIKeySRIIVTSURXHBJU-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.42
Rot. Bonds2

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

[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115397022) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID115397022
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1cccc(-c2nnc(CO)n2C)c1F
InChIInChI=1S/C11H12FN3O/c1-7-4-3-5-8(10(7)12)11-14-13-9(6-16)15(11)2/h3-5,16H,6H2,1-2H3
InChIKeySRIIVTSURXHBJU-UHFFFAOYSA-N
XLogP1.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301728
[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396918
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
[5-(2-bromo-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107984338
3-(chloromethyl)-4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 113301958
[5-(2-fluoro-4-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396945
[5-(5-fluoro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301703
[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 113301762
[4-methyl-5-(2-methyl-4-nitrophenyl)-1,2,4-triazol-3-yl]methanol
CID 113301758
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 82878332
[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593586
[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396730

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 115397022) is [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cc1cccc(-c2nnc(CO)n2C)c1F.
What is the InChIKey of [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is SRIIVTSURXHBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-4-3-5-8(10(7)12)11-14-13-9(6-16)15(11)2/h3-5,16H,6H2,1-2H3.
What are the key properties of [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 221.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-3-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).