5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H13N5OS — CID 2950154

IUPAC5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccs3)n3nnnc3N2)c1
InChIInChI=1S/C15H13N5OS/c1-21-11-5-2-4-10(8-11)12-9-13(14-6-3-7-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeyYPAQTZDMUAXTTF-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.80
Rot. Bonds3

About 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2950154) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2950154
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccs3)n3nnnc3N2)c1
InChIInChI=1S/C15H13N5OS/c1-21-11-5-2-4-10(8-11)12-9-13(14-6-3-7-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeyYPAQTZDMUAXTTF-UHFFFAOYSA-N
XLogP2.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2950154) is 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cccc(C2=CC(c3cccs3)n3nnnc3N2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YPAQTZDMUAXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-21-11-5-2-4-10(8-11)12-9-13(14-6-3-7-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19).
What are the key properties of 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 311.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2950154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).