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

C17H16FN3O — CID 82204046

IUPAC[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1ccccc1Cn1nnc(CO)c1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-12-5-2-3-6-14(12)10-21-17(16(11-22)19-20-21)13-7-4-8-15(18)9-13/h2-9,22H,10-11H2,1H3
InChIKeyRGRCTYIDTCCBMQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.93
Rot. Bonds4

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

[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol (PubChem CID 82204046) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
PubChem CID82204046
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1ccccc1Cn1nnc(CO)c1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-12-5-2-3-6-14(12)10-21-17(16(11-22)19-20-21)13-7-4-8-15(18)9-13/h2-9,22H,10-11H2,1H3
InChIKeyRGRCTYIDTCCBMQ-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazole-4-carbonitrile
CID 82204047
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
5-(3-fluorophenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxylic acid
CID 94942437

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol (CID 82204046) is [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol is Cc1ccccc1Cn1nnc(CO)c1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is RGRCTYIDTCCBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-5-2-3-6-14(12)10-21-17(16(11-22)19-20-21)13-7-4-8-15(18)9-13/h2-9,22H,10-11H2,1H3.
What are the key properties of [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol?
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82204046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).