5-(2H-triazol-4-yl)decan-3-ol

C12H23N3O — CID 67861047

IUPAC5-(2H-triazol-4-yl)decan-3-ol
SMILESCCCCCC(CC(O)CC)c1cn[nH]n1
InChIInChI=1S/C12H23N3O/c1-3-5-6-7-10(8-11(16)4-2)12-9-13-15-14-12/h9-11,16H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNPOJYAHRNNNYLE-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.63
Rot. Bonds8

About 5-(2H-triazol-4-yl)decan-3-ol

5-(2H-triazol-4-yl)decan-3-ol (PubChem CID 67861047) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(2H-triazol-4-yl)decan-3-ol.

Molecular Properties

Compound Name5-(2H-triazol-4-yl)decan-3-ol
PubChem CID67861047
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-(2H-triazol-4-yl)decan-3-ol
SMILESCCCCCC(CC(O)CC)c1cn[nH]n1
InChIInChI=1S/C12H23N3O/c1-3-5-6-7-10(8-11(16)4-2)12-9-13-15-14-12/h9-11,16H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNPOJYAHRNNNYLE-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2H-triazol-4-yl)decan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-yl)decan-3-ol?
The IUPAC name of 5-(2H-triazol-4-yl)decan-3-ol (CID 67861047) is 5-(2H-triazol-4-yl)decan-3-ol.
What is the SMILES notation for 5-(2H-triazol-4-yl)decan-3-ol?
The canonical SMILES for 5-(2H-triazol-4-yl)decan-3-ol is CCCCCC(CC(O)CC)c1cn[nH]n1.
What is the InChIKey of 5-(2H-triazol-4-yl)decan-3-ol?
The InChIKey is NPOJYAHRNNNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-5-6-7-10(8-11(16)4-2)12-9-13-15-14-12/h9-11,16H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(2H-triazol-4-yl)decan-3-ol?
5-(2H-triazol-4-yl)decan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-yl)decan-3-ol is sourced from PubChem (CID 67861047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).