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

C17H17N5S — CID 4900538

IUPAC5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C17H17N5S/c1-11(2)12-5-7-13(8-6-12)14-10-15(16-4-3-9-23-16)22-17(18-14)19-20-21-22/h3-11,15H,1-2H3,(H,18,19,21)
InChIKeyITZZNXNVMNGDBB-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.91
Rot. Bonds3

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

5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4900538) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4900538
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C17H17N5S/c1-11(2)12-5-7-13(8-6-12)14-10-15(16-4-3-9-23-16)22-17(18-14)19-20-21-22/h3-11,15H,1-2H3,(H,18,19,21)
InChIKeyITZZNXNVMNGDBB-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4900538) is 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CC(C)c1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ITZZNXNVMNGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-11(2)12-5-7-13(8-6-12)14-10-15(16-4-3-9-23-16)22-17(18-14)19-20-21-22/h3-11,15H,1-2H3,(H,18,19,21).
What are the key properties of 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 323.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4900538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).