5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine

C13H9Cl2FN4O — CID 15540288

IUPAC5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12
InChIInChI=1S/C13H9Cl2FN4O/c1-2-21-12-10(9-7(14)4-3-5-8(9)16)11(15)19-13-17-6-18-20(12)13/h3-6H,2H2,1H3
InChIKeyVZOXOTVJKITFNT-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15540288) has the molecular formula C13H9Cl2FN4O and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15540288
Molecular FormulaC13H9Cl2FN4O
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12
InChIInChI=1S/C13H9Cl2FN4O/c1-2-21-12-10(9-7(14)4-3-5-8(9)16)11(15)19-13-17-6-18-20(12)13/h3-6H,2H2,1H3
InChIKeyVZOXOTVJKITFNT-UHFFFAOYSA-N
XLogP3.64
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15540288) is 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VZOXOTVJKITFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN4O/c1-2-21-12-10(9-7(14)4-3-5-8(9)16)11(15)19-13-17-6-18-20(12)13/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 327.15 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15540288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).