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

C11H8N4S — CID 3695557

IUPAC7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC(=Cc1ccnc2ncnn12)c1cccs1
InChIInChI=1S/C11H8N4S/c1-2-10(16-7-1)4-3-9-5-6-12-11-13-8-14-15(9)11/h1-8H
InChIKeyFBUFJJIQNGUTGX-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.36
Rot. Bonds2

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

7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3695557) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3695557
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC(=Cc1ccnc2ncnn12)c1cccs1
InChIInChI=1S/C11H8N4S/c1-2-10(16-7-1)4-3-9-5-6-12-11-13-8-14-15(9)11/h1-8H
InChIKeyFBUFJJIQNGUTGX-UHFFFAOYSA-N
XLogP2.36
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
CID 2805985
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
2-[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 101113928
(E)-2-thiophen-2-ylethenol
CID 89297537
(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 754577
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746
1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole
CID 155934631

Frequently Asked Questions

What is the IUPAC name of 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3695557) is 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is C(=Cc1ccnc2ncnn12)c1cccs1.
What is the InChIKey of 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FBUFJJIQNGUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-10(16-7-1)4-3-9-5-6-12-11-13-8-14-15(9)11/h1-8H.
What are the key properties of 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 228.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-thiophen-2-ylethenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3695557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).