9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol

C10H6FN3O — CID 123281813

IUPAC9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol
SMILESOc1cn2ncnc2c2cc(F)ccc12
InChIInChI=1S/C10H6FN3O/c11-6-1-2-7-8(3-6)10-12-5-13-14(10)4-9(7)15/h1-5,15H
InChIKeyAYBDNPMLNCDMFC-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.73
Rot. Bonds

About 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol

9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol (PubChem CID 123281813) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol.

Molecular Properties

Compound Name9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol
PubChem CID123281813
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol
SMILESOc1cn2ncnc2c2cc(F)ccc12
InChIInChI=1S/C10H6FN3O/c11-6-1-2-7-8(3-6)10-12-5-13-14(10)4-9(7)15/h1-5,15H
InChIKeyAYBDNPMLNCDMFC-UHFFFAOYSA-N
XLogP1.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-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

7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
CID 162937311
6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 125457697
1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
CID 54290533
6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 141282721
6-(4-fluoro-2-hydroxyphenyl)pyridin-3-ol
CID 135741749
6-fluoro-4-propan-2-ylquinolin-3-ol
CID 105457227
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 115036557
2-(7-fluoroquinazolin-4-yl)phenol
CID 174770521
8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164553586
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 90095665
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol?
The IUPAC name of 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol (CID 123281813) is 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol.
What is the SMILES notation for 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol?
The canonical SMILES for 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol is Oc1cn2ncnc2c2cc(F)ccc12.
What is the InChIKey of 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol?
The InChIKey is AYBDNPMLNCDMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-6-1-2-7-8(3-6)10-12-5-13-14(10)4-9(7)15/h1-5,15H.
What are the key properties of 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol?
9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol has a molecular weight of 203.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol is sourced from PubChem (CID 123281813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).