7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H8N4OS — CID 66498252

IUPAC7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3nc(-c4cccs4)nn23)c1
InChIInChI=1S/C13H8N4OS/c1-3-10(18-7-1)9-5-6-14-13-15-12(16-17(9)13)11-4-2-8-19-11/h1-8H
InChIKeyOLNJSWDSMHINSC-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.11
Rot. Bonds2

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

7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66498252) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66498252
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3nc(-c4cccs4)nn23)c1
InChIInChI=1S/C13H8N4OS/c1-3-10(18-7-1)9-5-6-14-13-15-12(16-17(9)13)11-4-2-8-19-11/h1-8H
InChIKeyOLNJSWDSMHINSC-UHFFFAOYSA-N
XLogP3.11
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66498252) is 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1coc(-c2ccnc3nc(-c4cccs4)nn23)c1.
What is the InChIKey of 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OLNJSWDSMHINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c1-3-10(18-7-1)9-5-6-14-13-15-12(16-17(9)13)11-4-2-8-19-11/h1-8H.
What are the key properties of 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 268.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).