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

C14H11N5S — CID 3844093

IUPAC7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cccs2)Nc2nnnn2C1c1ccccc1
InChIInChI=1S/C14H11N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-9,12H,(H,15,16,18)
InChIKeyRRUSGRVKRLVBPK-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.79
Rot. Bonds2

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

7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3844093) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3844093
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESC1=C(c2cccs2)Nc2nnnn2C1c1ccccc1
InChIInChI=1S/C14H11N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-9,12H,(H,15,16,18)
InChIKeyRRUSGRVKRLVBPK-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 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3844093) is 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is C1=C(c2cccs2)Nc2nnnn2C1c1ccccc1.
What is the InChIKey of 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is RRUSGRVKRLVBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-9,12H,(H,15,16,18).
What are the key properties of 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-phenyl-5-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 7-phenyl-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3844093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).