5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H10ClFN4O — CID 107169190

IUPAC5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(Oc2c(C)c(Cl)nc3ncnn23)cc1F
InChIInChI=1S/C13H10ClFN4O/c1-7-3-4-9(5-10(7)15)20-12-8(2)11(14)18-13-16-6-17-19(12)13/h3-6H,1-2H3
InChIKeyWPGRPKYMEFMQSW-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.33
Rot. Bonds2

About 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 107169190) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID107169190
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC Name5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(Oc2c(C)c(Cl)nc3ncnn23)cc1F
InChIInChI=1S/C13H10ClFN4O/c1-7-3-4-9(5-10(7)15)20-12-8(2)11(14)18-13-16-6-17-19(12)13/h3-6H,1-2H3
InChIKeyWPGRPKYMEFMQSW-UHFFFAOYSA-N
XLogP3.33
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[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-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 107169190) is 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(Oc2c(C)c(Cl)nc3ncnn23)cc1F.
What is the InChIKey of 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WPGRPKYMEFMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c1-7-3-4-9(5-10(7)15)20-12-8(2)11(14)18-13-16-6-17-19(12)13/h3-6H,1-2H3.
What are the key properties of 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 292.70 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 107169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).