3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline

C14H19N5O — CID 81092076

IUPAC3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnnn2C2CCCC2)c1
InChIInChI=1S/C14H19N5O/c1-2-20-13-8-10(7-11(15)9-13)14-16-17-18-19(14)12-5-3-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyIGYADLNKMRAGPT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds4

About 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline

3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline (PubChem CID 81092076) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline
PubChem CID81092076
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnnn2C2CCCC2)c1
InChIInChI=1S/C14H19N5O/c1-2-20-13-8-10(7-11(15)9-13)14-16-17-18-19(14)12-5-3-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyIGYADLNKMRAGPT-UHFFFAOYSA-N
XLogP2.44
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline (CID 81092076) is 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline is CCOc1cc(N)cc(-c2nnnn2C2CCCC2)c1.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline?
The InChIKey is IGYADLNKMRAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-20-13-8-10(7-11(15)9-13)14-16-17-18-19(14)12-5-3-4-6-12/h7-9,12H,2-6,15H2,1H3.
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline?
3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline has a molecular weight of 273.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline is sourced from PubChem (CID 81092076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).