2-(1,2,4-triazol-1-yl)hexan-1-ol

C8H15N3O — CID 174516821

IUPAC2-(1,2,4-triazol-1-yl)hexan-1-ol
SMILESCCCCC(CO)n1cncn1
InChIInChI=1S/C8H15N3O/c1-2-3-4-8(5-12)11-7-9-6-10-11/h6-8,12H,2-5H2,1H3
InChIKeyVVPNIJGTILLDLZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.00
Rot. Bonds5

About 2-(1,2,4-triazol-1-yl)hexan-1-ol

2-(1,2,4-triazol-1-yl)hexan-1-ol (PubChem CID 174516821) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)hexan-1-ol
PubChem CID174516821
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(1,2,4-triazol-1-yl)hexan-1-ol
SMILESCCCCC(CO)n1cncn1
InChIInChI=1S/C8H15N3O/c1-2-3-4-8(5-12)11-7-9-6-10-11/h6-8,12H,2-5H2,1H3
InChIKeyVVPNIJGTILLDLZ-UHFFFAOYSA-N
XLogP1.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-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

Related Compounds

(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
CID 151920870
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
CID 13201024
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
1-(2-ethylhexyl)-1,2,4-triazole
CID 63811004
1-(2,3-dimethylheptyl)-1,2,4-triazole
CID 126695073
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
1-(1-fluoropropyl)-1,2,4-triazole
CID 91074116
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
3-(1,2,4-triazol-1-yl)heptan-4-one
CID 144648811
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
decane-4,6-diol;scandium
CID 164810305

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)hexan-1-ol?
The IUPAC name of 2-(1,2,4-triazol-1-yl)hexan-1-ol (CID 174516821) is 2-(1,2,4-triazol-1-yl)hexan-1-ol.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)hexan-1-ol?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)hexan-1-ol is CCCCC(CO)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)hexan-1-ol?
The InChIKey is VVPNIJGTILLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-8(5-12)11-7-9-6-10-11/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-(1,2,4-triazol-1-yl)hexan-1-ol?
2-(1,2,4-triazol-1-yl)hexan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)hexan-1-ol is sourced from PubChem (CID 174516821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).