(1-octyltriazol-4-yl)methanol

C11H21N3O — CID 62401462

IUPAC(1-octyltriazol-4-yl)methanol
SMILESCCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-11(10-15)12-13-14/h9,15H,2-8,10H2,1H3
InChIKeyIEKALTKLFGFMSM-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.13
Rot. Bonds8

About (1-octyltriazol-4-yl)methanol

(1-octyltriazol-4-yl)methanol (PubChem CID 62401462) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1-octyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-octyltriazol-4-yl)methanol
PubChem CID62401462
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1-octyltriazol-4-yl)methanol
SMILESCCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-11(10-15)12-13-14/h9,15H,2-8,10H2,1H3
InChIKeyIEKALTKLFGFMSM-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.13
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 (1-octyltriazol-4-yl)methanol?
The IUPAC name of (1-octyltriazol-4-yl)methanol (CID 62401462) is (1-octyltriazol-4-yl)methanol.
What is the SMILES notation for (1-octyltriazol-4-yl)methanol?
The canonical SMILES for (1-octyltriazol-4-yl)methanol is CCCCCCCCn1cc(CO)nn1.
What is the InChIKey of (1-octyltriazol-4-yl)methanol?
The InChIKey is IEKALTKLFGFMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-11(10-15)12-13-14/h9,15H,2-8,10H2,1H3.
What are the key properties of (1-octyltriazol-4-yl)methanol?
(1-octyltriazol-4-yl)methanol has a molecular weight of 211.31 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octyltriazol-4-yl)methanol is sourced from PubChem (CID 62401462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).