2-ethyltetrazole-5-carboxylic acid

C4H6N4O2 — CID 55300058

IUPAC2-ethyltetrazole-5-carboxylic acid
SMILESCCn1nnc(C(=O)O)n1
InChIInChI=1S/C4H6N4O2/c1-2-8-6-3(4(9)10)5-7-8/h2H2,1H3,(H,9,10)
InChIKeyQWSAGLHTVYSPRK-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.61
Rot. Bonds2

About 2-ethyltetrazole-5-carboxylic acid

2-ethyltetrazole-5-carboxylic acid (PubChem CID 55300058) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-ethyltetrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyltetrazole-5-carboxylic acid
PubChem CID55300058
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2-ethyltetrazole-5-carboxylic acid
SMILESCCn1nnc(C(=O)O)n1
InChIInChI=1S/C4H6N4O2/c1-2-8-6-3(4(9)10)5-7-8/h2H2,1H3,(H,9,10)
InChIKeyQWSAGLHTVYSPRK-UHFFFAOYSA-N
XLogP-0.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyltetrazole-5-carboxylic acid?
The IUPAC name of 2-ethyltetrazole-5-carboxylic acid (CID 55300058) is 2-ethyltetrazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyltetrazole-5-carboxylic acid?
The canonical SMILES for 2-ethyltetrazole-5-carboxylic acid is CCn1nnc(C(=O)O)n1.
What is the InChIKey of 2-ethyltetrazole-5-carboxylic acid?
The InChIKey is QWSAGLHTVYSPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-2-8-6-3(4(9)10)5-7-8/h2H2,1H3,(H,9,10).
What are the key properties of 2-ethyltetrazole-5-carboxylic acid?
2-ethyltetrazole-5-carboxylic acid has a molecular weight of 142.12 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyltetrazole-5-carboxylic acid is sourced from PubChem (CID 55300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).