3-methoxy-5-(tetrazol-1-yl)aniline

C8H9N5O — CID 4913144

IUPAC3-methoxy-5-(tetrazol-1-yl)aniline
SMILESCOc1cc(N)cc(-n2cnnn2)c1
InChIInChI=1S/C8H9N5O/c1-14-8-3-6(9)2-7(4-8)13-5-10-11-12-13/h2-5H,9H2,1H3
InChIKeyGPQFDWVYGLVWBK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

About 3-methoxy-5-(tetrazol-1-yl)aniline

3-methoxy-5-(tetrazol-1-yl)aniline (PubChem CID 4913144) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-methoxy-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(tetrazol-1-yl)aniline
PubChem CID4913144
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-methoxy-5-(tetrazol-1-yl)aniline
SMILESCOc1cc(N)cc(-n2cnnn2)c1
InChIInChI=1S/C8H9N5O/c1-14-8-3-6(9)2-7(4-8)13-5-10-11-12-13/h2-5H,9H2,1H3
InChIKeyGPQFDWVYGLVWBK-UHFFFAOYSA-N
XLogP0.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-(tetrazol-1-yl)aniline 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-methoxy-5-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methoxy-5-(tetrazol-1-yl)aniline (CID 4913144) is 3-methoxy-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methoxy-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methoxy-5-(tetrazol-1-yl)aniline is COc1cc(N)cc(-n2cnnn2)c1.
What is the InChIKey of 3-methoxy-5-(tetrazol-1-yl)aniline?
The InChIKey is GPQFDWVYGLVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-14-8-3-6(9)2-7(4-8)13-5-10-11-12-13/h2-5H,9H2,1H3.
What are the key properties of 3-methoxy-5-(tetrazol-1-yl)aniline?
3-methoxy-5-(tetrazol-1-yl)aniline has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 4913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).