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

C15H13N5OS — CID 4564517

IUPAC5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C15H13N5OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeySQGJPBNWOOWYAI-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.80
Rot. Bonds3

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

5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4564517) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4564517
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C15H13N5OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19)
InChIKeySQGJPBNWOOWYAI-UHFFFAOYSA-N
XLogP2.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-propyl-N-[2-(2-thienylmethoxy)benzyl]-1H-tetrazol-5-amine
CID 714668
5-(3-Methoxyphenyl)-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950154
3-[7-(4-Methoxyphenyl)-5-thien-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
CID 3244704
5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
CID 665817
5-(4-Methoxyphenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948332
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-thiomorpholine
CID 651340
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 3193608
7-(4-Methoxyphenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4246804
5-(4-Methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 404638
5-(1,3-Benzodioxol-5-yl)-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3362015
7-(5-Bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 5016727

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4564517) is 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is SQGJPBNWOOWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20-15(16-12)17-18-19-20/h2-9,13H,1H3,(H,16,17,19).
What are the key properties of 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 311.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4564517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).