5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H11N5S — CID 3155615

IUPAC5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1c1cccs1
InChIInChI=1S/C14H11N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18)
InChIKeyAJVKOOSUBDIFNS-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.79
Rot. Bonds2

About 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3155615) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3155615
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2nnnn2C1c1cccs1
InChIInChI=1S/C14H11N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18)
InChIKeyAJVKOOSUBDIFNS-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3155615) is 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is C1=C(c2ccccc2)Nc2nnnn2C1c1cccs1.
What is the InChIKey of 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is AJVKOOSUBDIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-9,12H,(H,15,16,18).
What are the key properties of 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 281.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3155615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).