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

C11H9BrN4OS — CID 75465921

IUPAC7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(Br)s3)n2n1
InChIInChI=1S/C11H9BrN4OS/c1-17-6-10-14-11-13-5-4-7(16(11)15-10)8-2-3-9(12)18-8/h2-5H,6H2,1H3
InChIKeyOTQIJVBDFSIBKN-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.76
Rot. Bonds3

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

7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465921) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465921
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(Br)s3)n2n1
InChIInChI=1S/C11H9BrN4OS/c1-17-6-10-14-11-13-5-4-7(16(11)15-10)8-2-3-9(12)18-8/h2-5H,6H2,1H3
InChIKeyOTQIJVBDFSIBKN-UHFFFAOYSA-N
XLogP2.76
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465921) is 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccc(Br)s3)n2n1.
What is the InChIKey of 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OTQIJVBDFSIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c1-17-6-10-14-11-13-5-4-7(16(11)15-10)8-2-3-9(12)18-8/h2-5H,6H2,1H3.
What are the key properties of 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromothiophen-2-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).