(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol

C9H17N3O — CID 70048126

IUPAC(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol
SMILESCCCCC[C@@H](O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-8(13)9-10-7-11-12(9)2/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyITEZVDKEMGCOLS-MRVPVSSYSA-N
MW183.25 g/mol
LogP1.43
Rot. Bonds5

About (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol

(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol (PubChem CID 70048126) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol
PubChem CID70048126
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol
SMILESCCCCC[C@@H](O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-3-4-5-6-8(13)9-10-7-11-12(9)2/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyITEZVDKEMGCOLS-MRVPVSSYSA-N
XLogP1.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-methyl-1,2,4-triazol-3-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 (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol?
The IUPAC name of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol (CID 70048126) is (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol.
What is the SMILES notation for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol?
The canonical SMILES for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol is CCCCC[C@@H](O)c1ncnn1C.
What is the InChIKey of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol?
The InChIKey is ITEZVDKEMGCOLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-5-6-8(13)9-10-7-11-12(9)2/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol?
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol is sourced from PubChem (CID 70048126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).