2-[(4-pentyltriazol-1-yl)methyl]phenol

C14H19N3O — CID 162663086

IUPAC2-[(4-pentyltriazol-1-yl)methyl]phenol
SMILESCCCCCc1cn(Cc2ccccc2O)nn1
InChIInChI=1S/C14H19N3O/c1-2-3-4-8-13-11-17(16-15-13)10-12-7-5-6-9-14(12)18/h5-7,9,11,18H,2-4,8,10H2,1H3
InChIKeyDARIIEGRIUKBAZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.76
Rot. Bonds6

About 2-[(4-pentyltriazol-1-yl)methyl]phenol

2-[(4-pentyltriazol-1-yl)methyl]phenol (PubChem CID 162663086) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(4-pentyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-pentyltriazol-1-yl)methyl]phenol
PubChem CID162663086
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(4-pentyltriazol-1-yl)methyl]phenol
SMILESCCCCCc1cn(Cc2ccccc2O)nn1
InChIInChI=1S/C14H19N3O/c1-2-3-4-8-13-11-17(16-15-13)10-12-7-5-6-9-14(12)18/h5-7,9,11,18H,2-4,8,10H2,1H3
InChIKeyDARIIEGRIUKBAZ-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pentyltriazol-1-yl)methyl]phenol?
The IUPAC name of 2-[(4-pentyltriazol-1-yl)methyl]phenol (CID 162663086) is 2-[(4-pentyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-pentyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4-pentyltriazol-1-yl)methyl]phenol is CCCCCc1cn(Cc2ccccc2O)nn1.
What is the InChIKey of 2-[(4-pentyltriazol-1-yl)methyl]phenol?
The InChIKey is DARIIEGRIUKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-8-13-11-17(16-15-13)10-12-7-5-6-9-14(12)18/h5-7,9,11,18H,2-4,8,10H2,1H3.
What are the key properties of 2-[(4-pentyltriazol-1-yl)methyl]phenol?
2-[(4-pentyltriazol-1-yl)methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pentyltriazol-1-yl)methyl]phenol is sourced from PubChem (CID 162663086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).