7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H13FN4O — CID 71709664

IUPAC7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccnc3nc(C4CCCO4)nn23)cc1
InChIInChI=1S/C15H13FN4O/c16-11-5-3-10(4-6-11)12-7-8-17-15-18-14(19-20(12)15)13-2-1-9-21-13/h3-8,13H,1-2,9H2
InChIKeyWNGKKVXJMMQPHH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.78
Rot. Bonds2

About 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71709664) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71709664
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccnc3nc(C4CCCO4)nn23)cc1
InChIInChI=1S/C15H13FN4O/c16-11-5-3-10(4-6-11)12-7-8-17-15-18-14(19-20(12)15)13-2-1-9-21-13/h3-8,13H,1-2,9H2
InChIKeyWNGKKVXJMMQPHH-UHFFFAOYSA-N
XLogP2.78
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71709664) is 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(-c2ccnc3nc(C4CCCO4)nn23)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WNGKKVXJMMQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-5-3-10(4-6-11)12-7-8-17-15-18-14(19-20(12)15)13-2-1-9-21-13/h3-8,13H,1-2,9H2.
What are the key properties of 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 284.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71709664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).