[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol

C12H12FN3O — CID 82207834

IUPAC[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-16-12(11(8-17)14-15-16)7-4-9-2-5-10(13)6-3-9/h2-7,17H,8H2,1H3/b7-4+
InChIKeyRJWUFNAKCWILNB-QPJJXVBHSA-N
MW233.25 g/mol
LogP1.62
Rot. Bonds3

About [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol

[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol (PubChem CID 82207834) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
PubChem CID82207834
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-16-12(11(8-17)14-15-16)7-4-9-2-5-10(13)6-3-9/h2-7,17H,8H2,1H3/b7-4+
InChIKeyRJWUFNAKCWILNB-QPJJXVBHSA-N
XLogP1.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
CID 94935692
[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82205810
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774
1-butyl-5-[(E)-2-(4-fluorophenyl)ethenyl]triazole-4-carboxylic acid
CID 82205266
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 94962651
2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
CID 82211292
1-(carboxymethyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]triazole-4-carboxylic acid
CID 82202448
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
CID 86725608

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol (CID 82207834) is [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol is Cn1nnc(CO)c1/C=C/c1ccc(F)cc1.
What is the InChIKey of [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol?
The InChIKey is RJWUFNAKCWILNB-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-12(11(8-17)14-15-16)7-4-9-2-5-10(13)6-3-9/h2-7,17H,8H2,1H3/b7-4+.
What are the key properties of [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol?
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol has a molecular weight of 233.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82207834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).