3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline

C11H15N5O — CID 61377000

IUPAC3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
SMILESCOCCn1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C11H15N5O/c1-8-3-4-9(12)7-10(8)11-13-14-15-16(11)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFICJHYKVCKOOAP-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.88
Rot. Bonds4

About 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline

3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 61377000) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
PubChem CID61377000
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
SMILESCOCCn1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C11H15N5O/c1-8-3-4-9(12)7-10(8)11-13-14-15-16(11)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFICJHYKVCKOOAP-UHFFFAOYSA-N
XLogP0.88
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline 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 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline (CID 61377000) is 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline is COCCn1nnnc1-c1cc(N)ccc1C.
What is the InChIKey of 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is FICJHYKVCKOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-3-4-9(12)7-10(8)11-13-14-15-16(11)5-6-17-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline?
3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 233.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 61377000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).