(5-butyl-1-hexyltriazol-4-yl)methanol

C13H25N3O — CID 82205952

IUPAC(5-butyl-1-hexyltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1CCCC
InChIInChI=1S/C13H25N3O/c1-3-5-7-8-10-16-13(9-6-4-2)12(11-17)14-15-16/h17H,3-11H2,1-2H3
InChIKeyRPPZXWMDNOFUGP-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.69
Rot. Bonds9

About (5-butyl-1-hexyltriazol-4-yl)methanol

(5-butyl-1-hexyltriazol-4-yl)methanol (PubChem CID 82205952) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (5-butyl-1-hexyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-butyl-1-hexyltriazol-4-yl)methanol
PubChem CID82205952
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(5-butyl-1-hexyltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1CCCC
InChIInChI=1S/C13H25N3O/c1-3-5-7-8-10-16-13(9-6-4-2)12(11-17)14-15-16/h17H,3-11H2,1-2H3
InChIKeyRPPZXWMDNOFUGP-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-butyl-1-hexyltriazol-4-yl)methanol 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-butyl-1-hexyltriazol-4-yl)methanol?
The IUPAC name of (5-butyl-1-hexyltriazol-4-yl)methanol (CID 82205952) is (5-butyl-1-hexyltriazol-4-yl)methanol.
What is the SMILES notation for (5-butyl-1-hexyltriazol-4-yl)methanol?
The canonical SMILES for (5-butyl-1-hexyltriazol-4-yl)methanol is CCCCCCn1nnc(CO)c1CCCC.
What is the InChIKey of (5-butyl-1-hexyltriazol-4-yl)methanol?
The InChIKey is RPPZXWMDNOFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-5-7-8-10-16-13(9-6-4-2)12(11-17)14-15-16/h17H,3-11H2,1-2H3.
What are the key properties of (5-butyl-1-hexyltriazol-4-yl)methanol?
(5-butyl-1-hexyltriazol-4-yl)methanol has a molecular weight of 239.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1-hexyltriazol-4-yl)methanol is sourced from PubChem (CID 82205952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).