7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H9BrN4S — CID 75465948

IUPAC7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2nccc(-c3ccc(Br)s3)n2n1
InChIInChI=1S/C11H9BrN4S/c1-2-10-14-11-13-6-5-7(16(11)15-10)8-3-4-9(12)17-8/h3-6H,2H2,1H3
InChIKeyMJMBCHOVGDAWCO-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.18
Rot. Bonds2

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

7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465948) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465948
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2nccc(-c3ccc(Br)s3)n2n1
InChIInChI=1S/C11H9BrN4S/c1-2-10-14-11-13-6-5-7(16(11)15-10)8-3-4-9(12)17-8/h3-6H,2H2,1H3
InChIKeyMJMBCHOVGDAWCO-UHFFFAOYSA-N
XLogP3.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465948) is 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nc2nccc(-c3ccc(Br)s3)n2n1.
What is the InChIKey of 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MJMBCHOVGDAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c1-2-10-14-11-13-6-5-7(16(11)15-10)8-3-4-9(12)17-8/h3-6H,2H2,1H3.
What are the key properties of 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromothiophen-2-yl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).