ethyl 2-(2-ethyltetrazol-5-yl)acetate

C7H12N4O2 — CID 13297533

IUPACethyl 2-(2-ethyltetrazol-5-yl)acetate
SMILESCCOC(=O)Cc1nnn(CC)n1
InChIInChI=1S/C7H12N4O2/c1-3-11-9-6(8-10-11)5-7(12)13-4-2/h3-5H2,1-2H3
InChIKeyLBBIDIHGMZHWSM-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.20
Rot. Bonds4

About ethyl 2-(2-ethyltetrazol-5-yl)acetate

ethyl 2-(2-ethyltetrazol-5-yl)acetate (PubChem CID 13297533) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is ethyl 2-(2-ethyltetrazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyltetrazol-5-yl)acetate
PubChem CID13297533
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Nameethyl 2-(2-ethyltetrazol-5-yl)acetate
SMILESCCOC(=O)Cc1nnn(CC)n1
InChIInChI=1S/C7H12N4O2/c1-3-11-9-6(8-10-11)5-7(12)13-4-2/h3-5H2,1-2H3
InChIKeyLBBIDIHGMZHWSM-UHFFFAOYSA-N
XLogP-0.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyltetrazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyltetrazol-5-yl)acetate (CID 13297533) is ethyl 2-(2-ethyltetrazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyltetrazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyltetrazol-5-yl)acetate is CCOC(=O)Cc1nnn(CC)n1.
What is the InChIKey of ethyl 2-(2-ethyltetrazol-5-yl)acetate?
The InChIKey is LBBIDIHGMZHWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-11-9-6(8-10-11)5-7(12)13-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-ethyltetrazol-5-yl)acetate?
ethyl 2-(2-ethyltetrazol-5-yl)acetate has a molecular weight of 184.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyltetrazol-5-yl)acetate is sourced from PubChem (CID 13297533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).