5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine

C6H5FN4O — CID 91253194

IUPAC5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)nc2ncnn12
InChIInChI=1S/C6H5FN4O/c1-12-5-2-4(7)10-6-8-3-9-11(5)6/h2-3H,1H3
InChIKeyROGGAOKUEYIUMX-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.27
Rot. Bonds1

About 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine

5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 91253194) has the molecular formula C6H5FN4O and a molecular weight of 168.13 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID91253194
Molecular FormulaC6H5FN4O
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Name5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)nc2ncnn12
InChIInChI=1S/C6H5FN4O/c1-12-5-2-4(7)10-6-8-3-9-11(5)6/h2-3H,1H3
InChIKeyROGGAOKUEYIUMX-UHFFFAOYSA-N
XLogP0.27
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine 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-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 91253194) is 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)nc2ncnn12.
What is the InChIKey of 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ROGGAOKUEYIUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O/c1-12-5-2-4(7)10-6-8-3-9-11(5)6/h2-3H,1H3.
What are the key properties of 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 168.13 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91253194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).