ethyl 2-(methoxymethyl)tetrazole-5-carboxylate

C6H10N4O3 — CID 69141056

IUPACethyl 2-(methoxymethyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(COC)n1
InChIInChI=1S/C6H10N4O3/c1-3-13-6(11)5-7-9-10(8-5)4-12-2/h3-4H2,1-2H3
InChIKeyTXQWIDFIIIYTIK-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.55
Rot. Bonds4

About ethyl 2-(methoxymethyl)tetrazole-5-carboxylate

ethyl 2-(methoxymethyl)tetrazole-5-carboxylate (PubChem CID 69141056) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)tetrazole-5-carboxylate
PubChem CID69141056
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Nameethyl 2-(methoxymethyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(COC)n1
InChIInChI=1S/C6H10N4O3/c1-3-13-6(11)5-7-9-10(8-5)4-12-2/h3-4H2,1-2H3
InChIKeyTXQWIDFIIIYTIK-UHFFFAOYSA-N
XLogP-0.55
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)tetrazole-5-carboxylate (CID 69141056) is ethyl 2-(methoxymethyl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)tetrazole-5-carboxylate is CCOC(=O)c1nnn(COC)n1.
What is the InChIKey of ethyl 2-(methoxymethyl)tetrazole-5-carboxylate?
The InChIKey is TXQWIDFIIIYTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3-13-6(11)5-7-9-10(8-5)4-12-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethyl)tetrazole-5-carboxylate?
ethyl 2-(methoxymethyl)tetrazole-5-carboxylate has a molecular weight of 186.17 g/mol, XLogP of -0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)tetrazole-5-carboxylate is sourced from PubChem (CID 69141056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).