3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline

C11H15N5O — CID 62075344

IUPAC3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1nnnc1C(C)C
InChIInChI=1S/C11H15N5O/c1-7(2)11-13-14-15-16(11)9-5-4-8(12)6-10(9)17-3/h4-7H,12H2,1-3H3
InChIKeyCDHQOMOGQQBGNB-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.38
Rot. Bonds3

About 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline

3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline (PubChem CID 62075344) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline
PubChem CID62075344
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1nnnc1C(C)C
InChIInChI=1S/C11H15N5O/c1-7(2)11-13-14-15-16(11)9-5-4-8(12)6-10(9)17-3/h4-7H,12H2,1-3H3
InChIKeyCDHQOMOGQQBGNB-UHFFFAOYSA-N
XLogP1.38
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(5-propan-2-yltetrazol-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

Related Compounds

1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
CID 68956850
3-methoxy-4-(3,4,5-trimethylpyrazol-1-yl)aniline
CID 82513091
3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61352660
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
1-(2-bromophenyl)-5-propan-2-yltetrazole
CID 62076489
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
CID 63149702
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
2-chloro-5-(5-propan-2-yltetrazol-1-yl)aniline
CID 62075182
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
3-methyl-4-(5-methyltetrazol-1-yl)aniline
CID 3186687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline (CID 62075344) is 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline is COc1cc(N)ccc1-n1nnnc1C(C)C.
What is the InChIKey of 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline?
The InChIKey is CDHQOMOGQQBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)11-13-14-15-16(11)9-5-4-8(12)6-10(9)17-3/h4-7H,12H2,1-3H3.
What are the key properties of 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline?
3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline has a molecular weight of 233.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline is sourced from PubChem (CID 62075344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).