6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol

C13H26N4O — CID 107707372

IUPAC6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
SMILESCC(C)(C)NCc1cn(CCCCCCO)nn1
InChIInChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3
InChIKeyJBFIJHLRJUNPGZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.72
Rot. Bonds8

About 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol

6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol (PubChem CID 107707372) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
PubChem CID107707372
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
SMILESCC(C)(C)NCc1cn(CCCCCCO)nn1
InChIInChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3
InChIKeyJBFIJHLRJUNPGZ-UHFFFAOYSA-N
XLogP1.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-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 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol (CID 107707372) is 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol is CC(C)(C)NCc1cn(CCCCCCO)nn1.
What is the InChIKey of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
The InChIKey is JBFIJHLRJUNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,3)14-10-12-11-17(16-15-12)8-6-4-5-7-9-18/h11,14,18H,4-10H2,1-3H3.
What are the key properties of 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol?
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol is sourced from PubChem (CID 107707372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).