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

C16H11Cl2FN6 — CID 10134167

IUPAC5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nccn1-c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12
InChIInChI=1S/C16H11Cl2FN6/c1-2-11-20-6-7-24(11)15-13(12-9(17)4-3-5-10(12)19)14(18)23-16-21-8-22-25(15)16/h3-8H,2H2,1H3
InChIKeyFCYAWBJNSHOEBN-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.99
Rot. Bonds3

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

5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 10134167) has the molecular formula C16H11Cl2FN6 and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID10134167
Molecular FormulaC16H11Cl2FN6
Molecular Weight377.21 g/mol
Exact Mass376.04
IUPAC Name5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nccn1-c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12
InChIInChI=1S/C16H11Cl2FN6/c1-2-11-20-6-7-24(11)15-13(12-9(17)4-3-5-10(12)19)14(18)23-16-21-8-22-25(15)16/h3-8H,2H2,1H3
InChIKeyFCYAWBJNSHOEBN-UHFFFAOYSA-N
XLogP3.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 10134167) is 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nccn1-c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FCYAWBJNSHOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN6/c1-2-11-20-6-7-24(11)15-13(12-9(17)4-3-5-10(12)19)14(18)23-16-21-8-22-25(15)16/h3-8H,2H2,1H3.
What are the key properties of 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 377.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-6-fluorophenyl)-7-(2-ethylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10134167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).