4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline

C11H15N5O2 — CID 28643083

IUPAC4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline
SMILESCCOc1cc(-c2nnn(C)n2)c(N)cc1OC
InChIInChI=1S/C11H15N5O2/c1-4-18-10-5-7(8(12)6-9(10)17-3)11-13-15-16(2)14-11/h5-6H,4,12H2,1-3H3
InChIKeyLUBPASVQXTWWJE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.87
Rot. Bonds4

About 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline

4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline (PubChem CID 28643083) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline
PubChem CID28643083
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline
SMILESCCOc1cc(-c2nnn(C)n2)c(N)cc1OC
InChIInChI=1S/C11H15N5O2/c1-4-18-10-5-7(8(12)6-9(10)17-3)11-13-15-16(2)14-11/h5-6H,4,12H2,1-3H3
InChIKeyLUBPASVQXTWWJE-UHFFFAOYSA-N
XLogP0.87
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline?
The IUPAC name of 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline (CID 28643083) is 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline?
The canonical SMILES for 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline is CCOc1cc(-c2nnn(C)n2)c(N)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline?
The InChIKey is LUBPASVQXTWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-18-10-5-7(8(12)6-9(10)17-3)11-13-15-16(2)14-11/h5-6H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline?
4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline has a molecular weight of 249.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-2-(2-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 28643083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).