4-(4-pentyltriazol-1-yl)phenol

C13H17N3O — CID 122501204

IUPAC4-(4-pentyltriazol-1-yl)phenol
SMILESCCCCCc1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C13H17N3O/c1-2-3-4-5-11-10-16(15-14-11)12-6-8-13(17)9-7-12/h6-10,17H,2-5H2,1H3
InChIKeyIEWZIGCOTMICHB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.71
Rot. Bonds5

About 4-(4-pentyltriazol-1-yl)phenol

4-(4-pentyltriazol-1-yl)phenol (PubChem CID 122501204) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(4-pentyltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-pentyltriazol-1-yl)phenol
PubChem CID122501204
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(4-pentyltriazol-1-yl)phenol
SMILESCCCCCc1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C13H17N3O/c1-2-3-4-5-11-10-16(15-14-11)12-6-8-13(17)9-7-12/h6-10,17H,2-5H2,1H3
InChIKeyIEWZIGCOTMICHB-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pentyltriazol-1-yl)phenol?
The IUPAC name of 4-(4-pentyltriazol-1-yl)phenol (CID 122501204) is 4-(4-pentyltriazol-1-yl)phenol.
What is the SMILES notation for 4-(4-pentyltriazol-1-yl)phenol?
The canonical SMILES for 4-(4-pentyltriazol-1-yl)phenol is CCCCCc1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of 4-(4-pentyltriazol-1-yl)phenol?
The InChIKey is IEWZIGCOTMICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-4-5-11-10-16(15-14-11)12-6-8-13(17)9-7-12/h6-10,17H,2-5H2,1H3.
What are the key properties of 4-(4-pentyltriazol-1-yl)phenol?
4-(4-pentyltriazol-1-yl)phenol has a molecular weight of 231.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentyltriazol-1-yl)phenol is sourced from PubChem (CID 122501204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).