[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol

C16H21N3O — CID 82205810

IUPAC[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-3-7-12-19-16(15(13-20)17-18-19)11-10-14-8-5-4-6-9-14/h4-6,8-11,20H,2-3,7,12-13H2,1H3/b11-10+
InChIKeyXKDSIPGTCSAVFI-ZHACJKMWSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds7

About [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol

[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol (PubChem CID 82205810) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
PubChem CID82205810
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-3-7-12-19-16(15(13-20)17-18-19)11-10-14-8-5-4-6-9-14/h4-6,8-11,20H,2-3,7,12-13H2,1H3/b11-10+
InChIKeyXKDSIPGTCSAVFI-ZHACJKMWSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
CID 82211292
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
1-butyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carboxylic acid
CID 82205268
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
1-butyl-5-[(E)-2-(4-fluorophenyl)ethenyl]triazole-4-carboxylic acid
CID 82205266
1-butyl-5-[(E)-2-(4-chlorophenyl)ethenyl]triazole-4-carboxylic acid
CID 94943933
pentan-1-ol;(E)-stilbene
CID 172553874
5-[(E)-2-(4-methylphenyl)ethenyl]-1-pentyltriazole-4-carbonitrile
CID 82205814

Frequently Asked Questions

What is the IUPAC name of [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The IUPAC name of [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol (CID 82205810) is [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol is CCCCCn1nnc(CO)c1/C=C/c1ccccc1.
What is the InChIKey of [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The InChIKey is XKDSIPGTCSAVFI-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-7-12-19-16(15(13-20)17-18-19)11-10-14-8-5-4-6-9-14/h4-6,8-11,20H,2-3,7,12-13H2,1H3/b11-10+.
What are the key properties of [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol is sourced from PubChem (CID 82205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).