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

C16H15N5OS — CID 3244971

IUPAC5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3sccc3C)n3nnnc3N2)cc1
InChIInChI=1S/C16H15N5OS/c1-10-7-8-23-15(10)14-9-13(17-16-18-19-20-21(14)16)11-3-5-12(22-2)6-4-11/h3-9,14H,1-2H3,(H,17,18,20)
InChIKeyWFGWLIDUOCENHY-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.11
Rot. Bonds3

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

5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3244971) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3244971
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3sccc3C)n3nnnc3N2)cc1
InChIInChI=1S/C16H15N5OS/c1-10-7-8-23-15(10)14-9-13(17-16-18-19-20-21(14)16)11-3-5-12(22-2)6-4-11/h3-9,14H,1-2H3,(H,17,18,20)
InChIKeyWFGWLIDUOCENHY-UHFFFAOYSA-N
XLogP3.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3244971) is 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3sccc3C)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is WFGWLIDUOCENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-7-8-23-15(10)14-9-13(17-16-18-19-20-21(14)16)11-3-5-12(22-2)6-4-11/h3-9,14H,1-2H3,(H,17,18,20).
What are the key properties of 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 325.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3244971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).