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

C8H14N4O2 — CID 126681966

IUPACethyl 2-(2-propyltetrazol-5-yl)acetate
SMILESCCCn1nnc(CC(=O)OCC)n1
InChIInChI=1S/C8H14N4O2/c1-3-5-12-10-7(9-11-12)6-8(13)14-4-2/h3-6H2,1-2H3
InChIKeyWFRPPCFYZXKDGS-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.19
Rot. Bonds5

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

ethyl 2-(2-propyltetrazol-5-yl)acetate (PubChem CID 126681966) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 2-(2-propyltetrazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propyltetrazol-5-yl)acetate
PubChem CID126681966
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 2-(2-propyltetrazol-5-yl)acetate
SMILESCCCn1nnc(CC(=O)OCC)n1
InChIInChI=1S/C8H14N4O2/c1-3-5-12-10-7(9-11-12)6-8(13)14-4-2/h3-6H2,1-2H3
InChIKeyWFRPPCFYZXKDGS-UHFFFAOYSA-N
XLogP0.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propyltetrazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-propyltetrazol-5-yl)acetate (CID 126681966) is ethyl 2-(2-propyltetrazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propyltetrazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-propyltetrazol-5-yl)acetate is CCCn1nnc(CC(=O)OCC)n1.
What is the InChIKey of ethyl 2-(2-propyltetrazol-5-yl)acetate?
The InChIKey is WFRPPCFYZXKDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-5-12-10-7(9-11-12)6-8(13)14-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-propyltetrazol-5-yl)acetate?
ethyl 2-(2-propyltetrazol-5-yl)acetate has a molecular weight of 198.23 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propyltetrazol-5-yl)acetate is sourced from PubChem (CID 126681966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).