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

C15H17N3O — CID 82210830

IUPAC[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(2)10-18-15(14(11-19)16-17-18)9-8-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3/b9-8+
InChIKeyVCNDOELVRFGDCH-CMDGGOBGSA-N
MW255.32 g/mol
LogP2.52
Rot. Bonds5

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

[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol (PubChem CID 82210830) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
PubChem CID82210830
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(2)10-18-15(14(11-19)16-17-18)9-8-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3/b9-8+
InChIKeyVCNDOELVRFGDCH-CMDGGOBGSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
CID 82211292
[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-benzhydryl-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 94946092
[5-[(2-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210779
[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82210644
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
CID 82207834
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
[5-[2-(4-methylphenyl)ethyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210815
(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
CID 146163611
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The IUPAC name of [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol (CID 82210830) is [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol is C=C(C)Cn1nnc(CO)c1/C=C/c1ccccc1.
What is the InChIKey of [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
The InChIKey is VCNDOELVRFGDCH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(2)10-18-15(14(11-19)16-17-18)9-8-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3/b9-8+.
What are the key properties of [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol?
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol is sourced from PubChem (CID 82210830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).