5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C14H13N5S — CID 3237446

IUPAC5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C14H13N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-8,11-12H,9H2,(H,15,16,18)
InChIKeyITSAGCYEZPYCIX-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.88
Rot. Bonds2

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

5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3237446) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID3237446
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C14H13N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-8,11-12H,9H2,(H,15,16,18)
InChIKeyITSAGCYEZPYCIX-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-Methylphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 2966764
7-Thiophen-2-yl-5-p-tolyl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine
CID 3514594
5-(4-Fluorophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 663267
5-(4-Fluorophenyl)-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4681097
5-Phenyl-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 649926
5-(4-Bromophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 662581
5-(4-Chlorophenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 5194755
5-Phenyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155615
5-(4-Methylphenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 662680
5-(2,4-Dichlorophenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3154581
7-(3-Fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4139913
7-Phenyl-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3651625

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 3237446) is 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is c1ccc(C2CC(c3cccs3)n3nnnc3N2)cc1.
What is the InChIKey of 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ITSAGCYEZPYCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-5-10(6-3-1)11-9-12(13-7-4-8-20-13)19-14(15-11)16-17-18-19/h1-8,11-12H,9H2,(H,15,16,18).
What are the key properties of 5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-phenyl-7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 283.36 g/mol, XLogP of 2.88, 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-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3237446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).