3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline

C13H19N5O — CID 104784484

IUPAC3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)(C)n1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C13H19N5O/c1-5-13(2,3)18-12(15-16-17-18)10-7-6-9(14)8-11(10)19-4/h6-8H,5,14H2,1-4H3
InChIKeyZVTUTAKVCZKFOG-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.08
Rot. Bonds4

About 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline

3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline (PubChem CID 104784484) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
PubChem CID104784484
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
SMILESCCC(C)(C)n1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C13H19N5O/c1-5-13(2,3)18-12(15-16-17-18)10-7-6-9(14)8-11(10)19-4/h6-8H,5,14H2,1-4H3
InChIKeyZVTUTAKVCZKFOG-UHFFFAOYSA-N
XLogP2.08
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-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

Related Compounds

4-methyl-3-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 61378524
4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
CID 114943980
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
3-chloro-4-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
CID 65038854
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
CID 104784494
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
4-methoxy-3-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227252
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline (CID 104784484) is 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline is CCC(C)(C)n1nnnc1-c1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is ZVTUTAKVCZKFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-13(2,3)18-12(15-16-17-18)10-7-6-9(14)8-11(10)19-4/h6-8H,5,14H2,1-4H3.
What are the key properties of 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline?
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 261.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104784484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).