7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H13FN4S — CID 2970129

IUPAC7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cccc(C2CC(c3cccs3)Nc3ncnn32)c1
InChIInChI=1S/C15H13FN4S/c16-11-4-1-3-10(7-11)13-8-12(14-5-2-6-21-14)19-15-17-9-18-20(13)15/h1-7,9,12-13H,8H2,(H,17,18,19)
InChIKeyNUITZTVPBMXDFQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.62
Rot. Bonds2

About 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2970129) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2970129
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cccc(C2CC(c3cccs3)Nc3ncnn32)c1
InChIInChI=1S/C15H13FN4S/c16-11-4-1-3-10(7-11)13-8-12(14-5-2-6-21-14)19-15-17-9-18-20(13)15/h1-7,9,12-13H,8H2,(H,17,18,19)
InChIKeyNUITZTVPBMXDFQ-UHFFFAOYSA-N
XLogP3.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2970129) is 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cccc(C2CC(c3cccs3)Nc3ncnn32)c1.
What is the InChIKey of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NUITZTVPBMXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c16-11-4-1-3-10(7-11)13-8-12(14-5-2-6-21-14)19-15-17-9-18-20(13)15/h1-7,9,12-13H,8H2,(H,17,18,19).
What are the key properties of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2970129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).