1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol

C9H16BrN3O — CID 106461231

IUPAC1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN3O/c1-3-4-5-6-7(14)8-9(10)11-12-13(8)2/h7,14H,3-6H2,1-2H3
InChIKeyMTOKDPLULLVOBL-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.19
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol

1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol (PubChem CID 106461231) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
PubChem CID106461231
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN3O/c1-3-4-5-6-7(14)8-9(10)11-12-13(8)2/h7,14H,3-6H2,1-2H3
InChIKeyMTOKDPLULLVOBL-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-3-methyltriazol-4-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

Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
CID 106461801
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
methyl 2-(5-bromo-3-methyltriazol-4-yl)hexanoate
CID 106463363
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylpentane-1,2-diol
CID 106462013
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106461819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol (CID 106461231) is 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol is CCCCCC(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol?
The InChIKey is MTOKDPLULLVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-3-4-5-6-7(14)8-9(10)11-12-13(8)2/h7,14H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol?
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol has a molecular weight of 262.15 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol is sourced from PubChem (CID 106461231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).