5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H10F3N5S — CID 75649257

IUPAC5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(C2CC(c3cccs3)=Nc3nnnn32)cc1
InChIInChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-7,12H,8H2
InChIKeyDCQGGMIYDCKALK-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.87
Rot. Bonds2

About 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine

5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75649257) has the molecular formula C15H10F3N5S and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75649257
Molecular FormulaC15H10F3N5S
Molecular Weight349.34 g/mol
Exact Mass349.06
IUPAC Name5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(C2CC(c3cccs3)=Nc3nnnn32)cc1
InChIInChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-7,12H,8H2
InChIKeyDCQGGMIYDCKALK-UHFFFAOYSA-N
XLogP3.87
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75649257) is 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccc(C2CC(c3cccs3)=Nc3nnnn32)cc1.
What is the InChIKey of 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DCQGGMIYDCKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-7,12H,8H2.
What are the key properties of 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 349.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75649257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).