1-(1-ethoxyethyl)tetrazole-5-carboxylic acid

C6H10N4O3 — CID 23354561

IUPAC1-(1-ethoxyethyl)tetrazole-5-carboxylic acid
SMILESCCOC(C)n1nnnc1C(=O)O
InChIInChI=1S/C6H10N4O3/c1-3-13-4(2)10-5(6(11)12)7-8-9-10/h4H,3H2,1-2H3,(H,11,12)
InChIKeyQWADVSBEECRYBR-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.07
Rot. Bonds4

About 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid

1-(1-ethoxyethyl)tetrazole-5-carboxylic acid (PubChem CID 23354561) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethoxyethyl)tetrazole-5-carboxylic acid
PubChem CID23354561
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name1-(1-ethoxyethyl)tetrazole-5-carboxylic acid
SMILESCCOC(C)n1nnnc1C(=O)O
InChIInChI=1S/C6H10N4O3/c1-3-13-4(2)10-5(6(11)12)7-8-9-10/h4H,3H2,1-2H3,(H,11,12)
InChIKeyQWADVSBEECRYBR-UHFFFAOYSA-N
XLogP-0.07
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid?
The IUPAC name of 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid (CID 23354561) is 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid is CCOC(C)n1nnnc1C(=O)O.
What is the InChIKey of 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid?
The InChIKey is QWADVSBEECRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3-13-4(2)10-5(6(11)12)7-8-9-10/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid?
1-(1-ethoxyethyl)tetrazole-5-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 23354561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).