2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H15FN4O — CID 71707749

IUPAC2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C3CCC3)nn12
InChIInChI=1S/C16H15FN4O/c1-22-14-9-11(17)5-6-12(14)13-7-8-18-16-19-15(20-21(13)16)10-3-2-4-10/h5-10H,2-4H2,1H3
InChIKeyMOPKMYSVMFOZCF-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.21
Rot. Bonds3

About 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71707749) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71707749
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C3CCC3)nn12
InChIInChI=1S/C16H15FN4O/c1-22-14-9-11(17)5-6-12(14)13-7-8-18-16-19-15(20-21(13)16)10-3-2-4-10/h5-10H,2-4H2,1H3
InChIKeyMOPKMYSVMFOZCF-UHFFFAOYSA-N
XLogP3.21
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[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 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71707749) is 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(C3CCC3)nn12.
What is the InChIKey of 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MOPKMYSVMFOZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-22-14-9-11(17)5-6-12(14)13-7-8-18-16-19-15(20-21(13)16)10-3-2-4-10/h5-10H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 298.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71707749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).