cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol

C15H17N3O — CID 71597456

IUPACcyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1nc(-c2ccccc2)n[nH]1)C1CC=CCC1
InChIInChI=1S/C15H17N3O/c19-13(11-7-3-1-4-8-11)15-16-14(17-18-15)12-9-5-2-6-10-12/h1-3,5-6,9-11,13,19H,4,7-8H2,(H,16,17,18)
InChIKeyZUFOXHZCDSGQOI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.86
Rot. Bonds3

About cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol

cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol (PubChem CID 71597456) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol
PubChem CID71597456
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Namecyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1nc(-c2ccccc2)n[nH]1)C1CC=CCC1
InChIInChI=1S/C15H17N3O/c19-13(11-7-3-1-4-8-11)15-16-14(17-18-15)12-9-5-2-6-10-12/h1-3,5-6,9-11,13,19H,4,7-8H2,(H,16,17,18)
InChIKeyZUFOXHZCDSGQOI-UHFFFAOYSA-N
XLogP2.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol (CID 71597456) is cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol is OC(c1nc(-c2ccccc2)n[nH]1)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is ZUFOXHZCDSGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-13(11-7-3-1-4-8-11)15-16-14(17-18-15)12-9-5-2-6-10-12/h1-3,5-6,9-11,13,19H,4,7-8H2,(H,16,17,18).
What are the key properties of cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol?
cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 255.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 71597456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).