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

C9H7N5O2S — CID 135476932

IUPAC7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CC(c2cccs2)n2nnnc2N1
InChIInChI=1S/C9H7N5O2S/c15-8(16)5-4-6(7-2-1-3-17-7)14-9(10-5)11-12-13-14/h1-4,6H,(H,15,16)(H,10,11,13)
InChIKeyGUTLTGBTGYFAHW-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.72
Rot. Bonds2

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

7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 135476932) has the molecular formula C9H7N5O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID135476932
Molecular FormulaC9H7N5O2S
Molecular Weight249.26 g/mol
Exact Mass249.03
IUPAC Name7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=CC(c2cccs2)n2nnnc2N1
InChIInChI=1S/C9H7N5O2S/c15-8(16)5-4-6(7-2-1-3-17-7)14-9(10-5)11-12-13-14/h1-4,6H,(H,15,16)(H,10,11,13)
InChIKeyGUTLTGBTGYFAHW-UHFFFAOYSA-N
XLogP0.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 135476932) is 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)C1=CC(c2cccs2)n2nnnc2N1.
What is the InChIKey of 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is GUTLTGBTGYFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2S/c15-8(16)5-4-6(7-2-1-3-17-7)14-9(10-5)11-12-13-14/h1-4,6H,(H,15,16)(H,10,11,13).
What are the key properties of 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 249.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135476932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).