ethyl 2-(tetrazol-1-yl)ethyl carbonate

C6H10N4O3 — CID 22074831

IUPACethyl 2-(tetrazol-1-yl)ethyl carbonate
SMILESCCOC(=O)OCCn1cnnn1
InChIInChI=1S/C6H10N4O3/c1-2-12-6(11)13-4-3-10-5-7-8-9-10/h5H,2-4H2,1H3
InChIKeyFLQFMTRUKFXTAZ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.15
Rot. Bonds4

About ethyl 2-(tetrazol-1-yl)ethyl carbonate

ethyl 2-(tetrazol-1-yl)ethyl carbonate (PubChem CID 22074831) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is ethyl 2-(tetrazol-1-yl)ethyl carbonate.

Molecular Properties

Compound Nameethyl 2-(tetrazol-1-yl)ethyl carbonate
PubChem CID22074831
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Nameethyl 2-(tetrazol-1-yl)ethyl carbonate
SMILESCCOC(=O)OCCn1cnnn1
InChIInChI=1S/C6H10N4O3/c1-2-12-6(11)13-4-3-10-5-7-8-9-10/h5H,2-4H2,1H3
InChIKeyFLQFMTRUKFXTAZ-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tetrazol-1-yl)ethyl carbonate?
The IUPAC name of ethyl 2-(tetrazol-1-yl)ethyl carbonate (CID 22074831) is ethyl 2-(tetrazol-1-yl)ethyl carbonate.
What is the SMILES notation for ethyl 2-(tetrazol-1-yl)ethyl carbonate?
The canonical SMILES for ethyl 2-(tetrazol-1-yl)ethyl carbonate is CCOC(=O)OCCn1cnnn1.
What is the InChIKey of ethyl 2-(tetrazol-1-yl)ethyl carbonate?
The InChIKey is FLQFMTRUKFXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-2-12-6(11)13-4-3-10-5-7-8-9-10/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(tetrazol-1-yl)ethyl carbonate?
ethyl 2-(tetrazol-1-yl)ethyl carbonate has a molecular weight of 186.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tetrazol-1-yl)ethyl carbonate is sourced from PubChem (CID 22074831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).