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

C15H13N5S — CID 3514594

IUPAC5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C15H13N5S/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-21-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeySSFKUZHZUUNSBA-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.10
Rot. Bonds2

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

5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3514594) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3514594
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C15H13N5S/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-21-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeySSFKUZHZUUNSBA-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3514594) is 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is SSFKUZHZUUNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-10-4-6-11(7-5-10)12-9-13(14-3-2-8-21-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19).
What are the key properties of 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 295.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3514594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).