5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol

C14H19N3O2 — CID 118336678

IUPAC5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
SMILESCOc1ccc(-c2cn(CCCCCO)nn2)cc1
InChIInChI=1S/C14H19N3O2/c1-19-13-7-5-12(6-8-13)14-11-17(16-15-14)9-3-2-4-10-18/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyUXIBTUXGUMWGGT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.12
Rot. Bonds7

About 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol

5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol (PubChem CID 118336678) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
PubChem CID118336678
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
SMILESCOc1ccc(-c2cn(CCCCCO)nn2)cc1
InChIInChI=1S/C14H19N3O2/c1-19-13-7-5-12(6-8-13)14-11-17(16-15-14)9-3-2-4-10-18/h5-8,11,18H,2-4,9-10H2,1H3
InChIKeyUXIBTUXGUMWGGT-UHFFFAOYSA-N
XLogP2.12
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol (CID 118336678) is 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol is COc1ccc(-c2cn(CCCCCO)nn2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol?
The InChIKey is UXIBTUXGUMWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13-7-5-12(6-8-13)14-11-17(16-15-14)9-3-2-4-10-18/h5-8,11,18H,2-4,9-10H2,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol?
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol is sourced from PubChem (CID 118336678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).