ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate

C8H14N4O3 — CID 22372301

IUPACethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)OCC
InChIInChI=1S/C8H14N4O3/c1-4-14-6(3)12-7(9-10-11-12)8(13)15-5-2/h6H,4-5H2,1-3H3
InChIKeyMXMVMOFXKOYELY-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.40
Rot. Bonds5

About ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate

ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate (PubChem CID 22372301) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate
PubChem CID22372301
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Nameethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)OCC
InChIInChI=1S/C8H14N4O3/c1-4-14-6(3)12-7(9-10-11-12)8(13)15-5-2/h6H,4-5H2,1-3H3
InChIKeyMXMVMOFXKOYELY-UHFFFAOYSA-N
XLogP0.40
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate (CID 22372301) is ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate is CCOC(=O)c1nnnn1C(C)OCC.
What is the InChIKey of ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate?
The InChIKey is MXMVMOFXKOYELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4-14-6(3)12-7(9-10-11-12)8(13)15-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate?
ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethoxyethyl)tetrazole-5-carboxylate is sourced from PubChem (CID 22372301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).