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

C15H15N5S — CID 2966764

IUPAC7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1CC(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H15N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19)
InChIKeyCVQDSTNLDJRZTC-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.19
Rot. Bonds2

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

7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2966764) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID2966764
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1C1CC(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H15N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19)
InChIKeyCVQDSTNLDJRZTC-UHFFFAOYSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-Phenyl-7-thien-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3237446
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
7-(2-Chlorophenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4615701

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 2966764) is 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Cc1ccccc1C1CC(c2cccs2)Nc2nnnn21.
What is the InChIKey of 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is CVQDSTNLDJRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)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-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 297.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2966764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).