5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol

C10H10FN3O — CID 143589127

IUPAC5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol
SMILESC=C1NN=C(c2ccc(F)cc2O)N1C
InChIInChI=1S/C10H10FN3O/c1-6-12-13-10(14(6)2)8-4-3-7(11)5-9(8)15/h3-5,12,15H,1H2,2H3
InChIKeyWFVUXDCQZVFAJL-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.20
Rot. Bonds1

About 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol

5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 143589127) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol
PubChem CID143589127
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol
SMILESC=C1NN=C(c2ccc(F)cc2O)N1C
InChIInChI=1S/C10H10FN3O/c1-6-12-13-10(14(6)2)8-4-3-7(11)5-9(8)15/h3-5,12,15H,1H2,2H3
InChIKeyWFVUXDCQZVFAJL-UHFFFAOYSA-N
XLogP1.20
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol 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 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol (CID 143589127) is 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol is C=C1NN=C(c2ccc(F)cc2O)N1C.
What is the InChIKey of 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is WFVUXDCQZVFAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6-12-13-10(14(6)2)8-4-3-7(11)5-9(8)15/h3-5,12,15H,1H2,2H3.
What are the key properties of 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol?
5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 207.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methyl-5-methylidene-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 143589127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).