1-(1,2,4-triazol-1-yl)hex-2-en-1-ol

C8H13N3O — CID 70383223

IUPAC1-(1,2,4-triazol-1-yl)hex-2-en-1-ol
SMILESCCCC=CC(O)n1cncn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-5-8(12)11-7-9-6-10-11/h4-8,12H,2-3H2,1H3
InChIKeyDKLZMISWJGTDTE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.13
Rot. Bonds4

About 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol

1-(1,2,4-triazol-1-yl)hex-2-en-1-ol (PubChem CID 70383223) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-yl)hex-2-en-1-ol
PubChem CID70383223
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(1,2,4-triazol-1-yl)hex-2-en-1-ol
SMILESCCCC=CC(O)n1cncn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-5-8(12)11-7-9-6-10-11/h4-8,12H,2-3H2,1H3
InChIKeyDKLZMISWJGTDTE-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,2,4-triazol-1-yl)hex-2-en-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 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol?
The IUPAC name of 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol (CID 70383223) is 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol.
What is the SMILES notation for 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol?
The canonical SMILES for 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol is CCCC=CC(O)n1cncn1.
What is the InChIKey of 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol?
The InChIKey is DKLZMISWJGTDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-5-8(12)11-7-9-6-10-11/h4-8,12H,2-3H2,1H3.
What are the key properties of 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol?
1-(1,2,4-triazol-1-yl)hex-2-en-1-ol has a molecular weight of 167.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-yl)hex-2-en-1-ol is sourced from PubChem (CID 70383223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).