(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone

C16H12FN3O — CID 105095437

IUPAC(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12FN3O/c1-11-7-8-12(17)9-14(11)16(21)15-10-18-20(19-15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyWTYLNIGTXGUPLD-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.95
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone

(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone (PubChem CID 105095437) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
PubChem CID105095437
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12FN3O/c1-11-7-8-12(17)9-14(11)16(21)15-10-18-20(19-15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyWTYLNIGTXGUPLD-UHFFFAOYSA-N
XLogP2.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethylphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105097956
(2-methoxyphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105079964
(5-fluoro-2-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685719
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-phenyltriazole-4-carboxylate
CID 25476452
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
CID 105095655
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone (CID 105095437) is (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone is Cc1ccc(F)cc1C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone?
The InChIKey is WTYLNIGTXGUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-11-7-8-12(17)9-14(11)16(21)15-10-18-20(19-15)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone?
(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone has a molecular weight of 281.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 105095437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).