7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C15H15N5OS — CID 4246804

IUPAC7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C15H15N5OS/c1-21-11-6-4-10(5-7-11)13-9-12(14-3-2-8-22-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19)
InChIKeyUNCMYOBVUKMFSC-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.89
Rot. Bonds3

About 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4246804) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID4246804
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C15H15N5OS/c1-21-11-6-4-10(5-7-11)13-9-12(14-3-2-8-22-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19)
InChIKeyUNCMYOBVUKMFSC-UHFFFAOYSA-N
XLogP2.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 4246804) is 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2CC(c3cccs3)Nc3nnnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is UNCMYOBVUKMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-21-11-6-4-10(5-7-11)13-9-12(14-3-2-8-22-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19).
What are the key properties of 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 313.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4246804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).