(1-decyltriazol-4-yl)methanol

C13H25N3O — CID 62402210

IUPAC(1-decyltriazol-4-yl)methanol
SMILESCCCCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11,17H,2-10,12H2,1H3
InChIKeyRCSANNYVSORUTC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.91
Rot. Bonds10

About (1-decyltriazol-4-yl)methanol

(1-decyltriazol-4-yl)methanol (PubChem CID 62402210) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (1-decyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-decyltriazol-4-yl)methanol
PubChem CID62402210
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(1-decyltriazol-4-yl)methanol
SMILESCCCCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11,17H,2-10,12H2,1H3
InChIKeyRCSANNYVSORUTC-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-decyltriazol-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 (1-decyltriazol-4-yl)methanol?
The IUPAC name of (1-decyltriazol-4-yl)methanol (CID 62402210) is (1-decyltriazol-4-yl)methanol.
What is the SMILES notation for (1-decyltriazol-4-yl)methanol?
The canonical SMILES for (1-decyltriazol-4-yl)methanol is CCCCCCCCCCn1cc(CO)nn1.
What is the InChIKey of (1-decyltriazol-4-yl)methanol?
The InChIKey is RCSANNYVSORUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-16-11-13(12-17)14-15-16/h11,17H,2-10,12H2,1H3.
What are the key properties of (1-decyltriazol-4-yl)methanol?
(1-decyltriazol-4-yl)methanol has a molecular weight of 239.36 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decyltriazol-4-yl)methanol is sourced from PubChem (CID 62402210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).