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

C15H13FN4O — CID 71701358

IUPAC2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C4CC4)nn23)c(F)c1
InChIInChI=1S/C15H13FN4O/c1-21-10-4-5-11(12(16)8-10)13-6-7-17-15-18-14(9-2-3-9)19-20(13)15/h4-9H,2-3H2,1H3
InChIKeyWBHPZTJIRJJUMU-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.82
Rot. Bonds3

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

2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71701358) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71701358
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C4CC4)nn23)c(F)c1
InChIInChI=1S/C15H13FN4O/c1-21-10-4-5-11(12(16)8-10)13-6-7-17-15-18-14(9-2-3-9)19-20(13)15/h4-9H,2-3H2,1H3
InChIKeyWBHPZTJIRJJUMU-UHFFFAOYSA-N
XLogP2.82
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-7-(2-fluoro-4-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-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71701358) is 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(C4CC4)nn23)c(F)c1.
What is the InChIKey of 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WBHPZTJIRJJUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-10-4-5-11(12(16)8-10)13-6-7-17-15-18-14(9-2-3-9)19-20(13)15/h4-9H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 284.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).