ethyl 3-(5-phenyltetrazol-1-yl)propanoate

C12H14N4O2 — CID 15007252

IUPACethyl 3-(5-phenyltetrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nnnc1-c1ccccc1
InChIInChI=1S/C12H14N4O2/c1-2-18-11(17)8-9-16-12(13-14-15-16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyCZLFETNYBZNBIY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.29
Rot. Bonds5

About ethyl 3-(5-phenyltetrazol-1-yl)propanoate

ethyl 3-(5-phenyltetrazol-1-yl)propanoate (PubChem CID 15007252) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 3-(5-phenyltetrazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-phenyltetrazol-1-yl)propanoate
PubChem CID15007252
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 3-(5-phenyltetrazol-1-yl)propanoate
SMILESCCOC(=O)CCn1nnnc1-c1ccccc1
InChIInChI=1S/C12H14N4O2/c1-2-18-11(17)8-9-16-12(13-14-15-16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyCZLFETNYBZNBIY-UHFFFAOYSA-N
XLogP1.29
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(5-phenyltetrazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-phenyltetrazol-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-phenyltetrazol-1-yl)propanoate (CID 15007252) is ethyl 3-(5-phenyltetrazol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-phenyltetrazol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-phenyltetrazol-1-yl)propanoate is CCOC(=O)CCn1nnnc1-c1ccccc1.
What is the InChIKey of ethyl 3-(5-phenyltetrazol-1-yl)propanoate?
The InChIKey is CZLFETNYBZNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-11(17)8-9-16-12(13-14-15-16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 3-(5-phenyltetrazol-1-yl)propanoate?
ethyl 3-(5-phenyltetrazol-1-yl)propanoate has a molecular weight of 246.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-phenyltetrazol-1-yl)propanoate is sourced from PubChem (CID 15007252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).