1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid

C10H10N4O2S — CID 81167839

IUPAC1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccsc2)CCC1
InChIInChI=1S/C10H10N4O2S/c15-9(16)10(3-1-4-10)14-8(11-12-13-14)7-2-5-17-6-7/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyWSJQYMDWFPLUBK-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.37
Rot. Bonds3

About 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid

1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 81167839) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid
PubChem CID81167839
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccsc2)CCC1
InChIInChI=1S/C10H10N4O2S/c15-9(16)10(3-1-4-10)14-8(11-12-13-14)7-2-5-17-6-7/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyWSJQYMDWFPLUBK-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid (CID 81167839) is 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2-c2ccsc2)CCC1.
What is the InChIKey of 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is WSJQYMDWFPLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-9(16)10(3-1-4-10)14-8(11-12-13-14)7-2-5-17-6-7/h2,5-6H,1,3-4H2,(H,15,16).
What are the key properties of 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid?
1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-3-yltetrazol-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).