ethyl tetrazol-1-ylmethyl carbonate

C5H8N4O3 — CID 54219861

IUPACethyl tetrazol-1-ylmethyl carbonate
SMILESCCOC(=O)OCn1cnnn1
InChIInChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-9-3-6-7-8-9/h3H,2,4H2,1H3
InChIKeySMNXFZRYZYZQPE-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.20
Rot. Bonds3

About ethyl tetrazol-1-ylmethyl carbonate

ethyl tetrazol-1-ylmethyl carbonate (PubChem CID 54219861) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is ethyl tetrazol-1-ylmethyl carbonate.

Molecular Properties

Compound Nameethyl tetrazol-1-ylmethyl carbonate
PubChem CID54219861
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Nameethyl tetrazol-1-ylmethyl carbonate
SMILESCCOC(=O)OCn1cnnn1
InChIInChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-9-3-6-7-8-9/h3H,2,4H2,1H3
InChIKeySMNXFZRYZYZQPE-UHFFFAOYSA-N
XLogP-0.20
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl tetrazol-1-ylmethyl carbonate?
The IUPAC name of ethyl tetrazol-1-ylmethyl carbonate (CID 54219861) is ethyl tetrazol-1-ylmethyl carbonate.
What is the SMILES notation for ethyl tetrazol-1-ylmethyl carbonate?
The canonical SMILES for ethyl tetrazol-1-ylmethyl carbonate is CCOC(=O)OCn1cnnn1.
What is the InChIKey of ethyl tetrazol-1-ylmethyl carbonate?
The InChIKey is SMNXFZRYZYZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-2-11-5(10)12-4-9-3-6-7-8-9/h3H,2,4H2,1H3.
What are the key properties of ethyl tetrazol-1-ylmethyl carbonate?
ethyl tetrazol-1-ylmethyl carbonate has a molecular weight of 172.14 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetrazol-1-ylmethyl carbonate is sourced from PubChem (CID 54219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).