[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol

C19H19N3O — CID 82203119

IUPAC[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
SMILESCc1ccc(/C=C/c2c(CO)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)11-12-19-18(14-23)20-21-22(19)13-17-5-3-2-4-6-17/h2-12,23H,13-14H2,1H3/b12-11+
InChIKeyJKERFTHCBOZDRT-VAWYXSNFSA-N
MW305.38 g/mol
LogP3.30
Rot. Bonds5

About [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol

[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol (PubChem CID 82203119) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
PubChem CID82203119
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
SMILESCc1ccc(/C=C/c2c(CO)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)11-12-19-18(14-23)20-21-22(19)13-17-5-3-2-4-6-17/h2-12,23H,13-14H2,1H3/b12-11+
InChIKeyJKERFTHCBOZDRT-VAWYXSNFSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol?
The IUPAC name of [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol (CID 82203119) is [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol is Cc1ccc(/C=C/c2c(CO)nnn2Cc2ccccc2)cc1.
What is the InChIKey of [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol?
The InChIKey is JKERFTHCBOZDRT-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-7-9-16(10-8-15)11-12-19-18(14-23)20-21-22(19)13-17-5-3-2-4-6-17/h2-12,23H,13-14H2,1H3/b12-11+.
What are the key properties of [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol?
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol is sourced from PubChem (CID 82203119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).